N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline

C74H65Cl4F3N12O5S — CID 160637304

IUPACN-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline
SMILESCOc1cc(C)cc(C(=O)Nc2ncn(-c3ncc(C)cc3Cl)n2)c1.COc1cc(NC(=O)c2ccc(Cl)c(-c3ccccn3)c2)cc(OC)c1.Cc1cc(CCCNc2ccc(Cl)c(-c3ccccn3)c2)cc(C(F)(F)F)c1.Clc1sc(NCc2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C22H20ClF3N2.C20H17ClN2O3.C17H16ClN5O2.C15H12ClN3S/c1-15-11-16(13-17(12-15)22(24,25)26)5-4-10-27-18-7-8-20(23)19(14-18)21-6-2-3-9-28-21;1-25-15-10-14(11-16(12-15)26-2)23-20(24)13-6-7-18(21)17(9-13)19-5-3-4-8-22-19;1-10-4-12(7-13(5-10)25-3)16(24)21-17-20-9-23(22-17)15-14(18)6-11(2)8-19-15;16-14-13(12-8-4-5-9-17-12)19-15(20-14)18-10-11-6-2-1-3-7-11/h2-3,6-9,11-14,27H,4-5,10H2,1H3;3-12H,1-2H3,(H,23,24);4-9H,1-3H3,(H,21,22,24);1-9H,10H2,(H,18,19)
InChIKeyRIRYNZTZTWXRSE-UHFFFAOYSA-N
MW1433.29 g/mol
LogP19.11
Rot. Bonds19

About N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline

N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline (PubChem CID 160637304) has the molecular formula C74H65Cl4F3N12O5S and a molecular weight of 1433.29 g/mol. Its IUPAC name is N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline.

Molecular Properties

Compound NameN-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline
PubChem CID160637304
Molecular FormulaC74H65Cl4F3N12O5S
Molecular Weight1433.29 g/mol
Exact Mass1430.36
IUPAC NameN-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline
SMILESCOc1cc(C)cc(C(=O)Nc2ncn(-c3ncc(C)cc3Cl)n2)c1.COc1cc(NC(=O)c2ccc(Cl)c(-c3ccccn3)c2)cc(OC)c1.Cc1cc(CCCNc2ccc(Cl)c(-c3ccccn3)c2)cc(C(F)(F)F)c1.Clc1sc(NCc2ccccc2)nc1-c1ccccn1
InChIInChI=1S/C22H20ClF3N2.C20H17ClN2O3.C17H16ClN5O2.C15H12ClN3S/c1-15-11-16(13-17(12-15)22(24,25)26)5-4-10-27-18-7-8-20(23)19(14-18)21-6-2-3-9-28-21;1-25-15-10-14(11-16(12-15)26-2)23-20(24)13-6-7-18(21)17(9-13)19-5-3-4-8-22-19;1-10-4-12(7-13(5-10)25-3)16(24)21-17-20-9-23(22-17)15-14(18)6-11(2)8-19-15;16-14-13(12-8-4-5-9-17-12)19-15(20-14)18-10-11-6-2-1-3-7-11/h2-3,6-9,11-14,27H,4-5,10H2,1H3;3-12H,1-2H3,(H,23,24);4-9H,1-3H3,(H,21,22,24);1-9H,10H2,(H,18,19)
InChIKeyRIRYNZTZTWXRSE-UHFFFAOYSA-N
XLogP19.11
TPSA205.11 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001433.29
LogP ≤ 519.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline with MolForge

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Related Compounds

2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methoxybenzamide
CID 157245324
2-amino-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide;N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methoxybenzamide
CID 157694150
2-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
CID 157941296
N-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-chloro-3-pyridin-2-ylaniline;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzamide;N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]-3,5-dimethoxybenzamide
CID 158199875
N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline;N-(4-chloro-3-pyridin-2-ylphenyl)-4-methoxybenzamide
CID 160068756
N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline;N-(4-chloro-3-pyridin-2-ylphenyl)-3,5-dimethoxybenzamide
CID 160720188
4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methyl-5-(trifluoromethyl)benzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline
CID 161444163

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline?
The IUPAC name of N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline (CID 160637304) is N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline.
What is the SMILES notation for N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline?
The canonical SMILES for N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline is COc1cc(C)cc(C(=O)Nc2ncn(-c3ncc(C)cc3Cl)n2)c1.COc1cc(NC(=O)c2ccc(Cl)c(-c3ccccn3)c2)cc(OC)c1.Cc1cc(CCCNc2ccc(Cl)c(-c3ccccn3)c2)cc(C(F)(F)F)c1.Clc1sc(NCc2ccccc2)nc1-c1ccccn1.
What is the InChIKey of N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline?
The InChIKey is RIRYNZTZTWXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2.C20H17ClN2O3.C17H16ClN5O2.C15H12ClN3S/c1-15-11-16(13-17(12-15)22(24,25)26)5-4-10-27-18-7-8-20(23)19(14-18)21-6-2-3-9-28-21;1-25-15-10-14(11-16(12-15)26-2)23-20(24)13-6-7-18(21)17(9-13)19-5-3-4-8-22-19;1-10-4-12(7-13(5-10)25-3)16(24)21-17-20-9-23(22-17)15-14(18)6-11(2)8-19-15;16-14-13(12-8-4-5-9-17-12)19-15(20-14)18-10-11-6-2-1-3-7-11/h2-3,6-9,11-14,27H,4-5,10H2,1H3;3-12H,1-2H3,(H,23,24);4-9H,1-3H3,(H,21,22,24);1-9H,10H2,(H,18,19).
What are the key properties of N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline?
N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline has a molecular weight of 1433.29 g/mol, XLogP of 19.11, 19 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-4-pyridin-2-yl-1,3-thiazol-2-amine;4-chloro-N-(3,5-dimethoxyphenyl)-3-pyridin-2-ylbenzamide;N-[1-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-3-methoxy-5-methylbenzamide;4-chloro-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylaniline is sourced from PubChem (CID 160637304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).