N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane

C137H126Cl2F3N23O12S2 — CID 159472201

IUPACN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane
SMILESC.COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(F)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(N)=O)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc([N+](=O)[O-])ccc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)c(F)c3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cscc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sccc3C)c(N)n2)cc1
InChIInChI=1S/C20H17ClN4O2.C20H18ClN3O2.C20H17F2N3O.C20H18FN3O2.C20H18N4O3.2C18H17N3OS.CH4/c1-11-2-4-12(5-3-11)20(27)25-17-9-7-14(18(22)24-17)15-10-13(19(23)26)6-8-16(15)21;1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-11-3-6-13(7-4-11)20(26)25-16-10-9-15(19(23)24-16)14-8-5-12(2)17(21)18(14)22;1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-12-3-6-14(7-4-12)20(25)23-18-10-9-16(19(21)22-18)17-11-15(24(26)27)8-5-13(17)2;1-11-3-5-13(6-4-11)18(22)21-16-8-7-14(17(19)20-16)15-10-23-9-12(15)2;1-11-3-5-13(6-4-11)18(22)21-15-8-7-14(17(19)20-15)16-12(2)9-10-23-16;/h2-10H,1H3,(H2,23,26)(H3,22,24,25,27);3-11H,1-2H3,(H3,22,23,24,25);3-10H,1-2H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,22,23,24,25);3-11H,1-2H3,(H3,21,22,23,25);2*3-10H,1-2H3,(H3,19,20,21,22);1H4
InChIKeyNUJOHHTWNZAGNP-UHFFFAOYSA-N
MW2478.70 g/mol
LogP29.98
Rot. Bonds25

About N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane

N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane (PubChem CID 159472201) has the molecular formula C137H126Cl2F3N23O12S2 and a molecular weight of 2478.70 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane.

Molecular Properties

Compound NameN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane
PubChem CID159472201
Molecular FormulaC137H126Cl2F3N23O12S2
Molecular Weight2478.70 g/mol
Exact Mass2475.87
IUPAC NameN-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane
SMILESC.COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(F)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(N)=O)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc([N+](=O)[O-])ccc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)c(F)c3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cscc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sccc3C)c(N)n2)cc1
InChIInChI=1S/C20H17ClN4O2.C20H18ClN3O2.C20H17F2N3O.C20H18FN3O2.C20H18N4O3.2C18H17N3OS.CH4/c1-11-2-4-12(5-3-11)20(27)25-17-9-7-14(18(22)24-17)15-10-13(19(23)26)6-8-16(15)21;1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-11-3-6-13(7-4-11)20(26)25-16-10-9-15(19(23)24-16)14-8-5-12(2)17(21)18(14)22;1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-12-3-6-14(7-4-12)20(25)23-18-10-9-16(19(21)22-18)17-11-15(24(26)27)8-5-13(17)2;1-11-3-5-13(6-4-11)18(22)21-16-8-7-14(17(19)20-16)15-10-23-9-12(15)2;1-11-3-5-13(6-4-11)18(22)21-15-8-7-14(17(19)20-15)16-12(2)9-10-23-16;/h2-10H,1H3,(H2,23,26)(H3,22,24,25,27);3-11H,1-2H3,(H3,22,23,24,25);3-10H,1-2H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,22,23,24,25);3-11H,1-2H3,(H3,21,22,23,25);2*3-10H,1-2H3,(H3,19,20,21,22);1H4
InChIKeyNUJOHHTWNZAGNP-UHFFFAOYSA-N
XLogP29.98
TPSA580.76 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002478.70
LogP ≤ 529.98
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane with MolForge

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Launch Full Analysis

Related Compounds

N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 160879456

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane?
The IUPAC name of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane (CID 159472201) is N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane.
What is the SMILES notation for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane?
The canonical SMILES for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane is C.COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(F)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(N)=O)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc([N+](=O)[O-])ccc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)c(F)c3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cscc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sccc3C)c(N)n2)cc1.
What is the InChIKey of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane?
The InChIKey is NUJOHHTWNZAGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2.C20H18ClN3O2.C20H17F2N3O.C20H18FN3O2.C20H18N4O3.2C18H17N3OS.CH4/c1-11-2-4-12(5-3-11)20(27)25-17-9-7-14(18(22)24-17)15-10-13(19(23)26)6-8-16(15)21;1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-11-3-6-13(7-4-11)20(26)25-16-10-9-15(19(23)24-16)14-8-5-12(2)17(21)18(14)22;1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-12-3-6-14(7-4-12)20(25)23-18-10-9-16(19(21)22-18)17-11-15(24(26)27)8-5-13(17)2;1-11-3-5-13(6-4-11)18(22)21-16-8-7-14(17(19)20-16)15-10-23-9-12(15)2;1-11-3-5-13(6-4-11)18(22)21-15-8-7-14(17(19)20-15)16-12(2)9-10-23-16;/h2-10H,1H3,(H2,23,26)(H3,22,24,25,27);3-11H,1-2H3,(H3,22,23,24,25);3-10H,1-2H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,22,23,24,25);3-11H,1-2H3,(H3,21,22,23,25);2*3-10H,1-2H3,(H3,19,20,21,22);1H4.
What are the key properties of N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane?
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane has a molecular weight of 2478.70 g/mol, XLogP of 29.98, 25 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane is sourced from PubChem (CID 159472201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).