5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine

C141H152BrCl9F3N17O10S2 — CID 158165561

IUPAC5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine
SMILESCCc1ccc(C)cc1.COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(CNc2ccccc2)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc(Cl)cc(Cl)c1.Cc1cc(Cl)ccc1Cl.Cc1cc2c(N)cccc2cc1C(N)=O.Cc1ccc(-n2cccn2)nc1.Cc1ccc(Cl)nc1.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(N)nc1.Cc1ccccc1C(N)=O.Cc1ccccc1S(N)(=O)=O.Cc1cccnc1Cl.Cc1ccncc1Cl.Cc1cnc(Cl)c(Br)c1.Cc1cnccc1Cl
InChIInChI=1S/C15H17NO.C12H12N2O.C9H9N3.C9H11NO2.C9H12.C8H11NO3S.C8H9NO.2C7H6Cl2.C7H6F2.C7H7F.C7H9NO2S.C6H5BrClN.4C6H6ClN.C6H8N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-3-4-9(10-7-8)12-6-2-5-11-12;1-6-3-4-7(12-2)5-8(6)9(10)11;1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)8(9)10;1-5-2-6(8)4-7(9)3-5;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-5(7)6(8)9-3-4;1-5-4-8-3-2-6(5)7;1-5-2-3-8-4-6(5)7;1-5-2-3-6(7)8-4-5;1-5-3-2-4-8-6(5)7;1-5-2-3-6(7)8-4-5/h3-10,16H,11H2,1-2H3;2-6H,13H2,1H3,(H2,14,15);2-7H,1H3;3-5H,1-2H3,(H2,10,11);4-7H,3H2,1-2H3;3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,9,10);3*2-4H,1H3;2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3;4*2-4H,1H3;2-4H,1H3,(H2,7,8)
InChIKeyFWUKQFDCLGLIFP-UHFFFAOYSA-N
MW2764.98 g/mol
LogP36.03
Rot. Bonds13

About 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine

5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine (PubChem CID 158165561) has the molecular formula C141H152BrCl9F3N17O10S2 and a molecular weight of 2764.98 g/mol. Its IUPAC name is 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine.

Molecular Properties

Compound Name5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine
PubChem CID158165561
Molecular FormulaC141H152BrCl9F3N17O10S2
Molecular Weight2764.98 g/mol
Exact Mass2757.77
IUPAC Name5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine
SMILESCCc1ccc(C)cc1.COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(CNc2ccccc2)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc(Cl)cc(Cl)c1.Cc1cc(Cl)ccc1Cl.Cc1cc2c(N)cccc2cc1C(N)=O.Cc1ccc(-n2cccn2)nc1.Cc1ccc(Cl)nc1.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(N)nc1.Cc1ccccc1C(N)=O.Cc1ccccc1S(N)(=O)=O.Cc1cccnc1Cl.Cc1ccncc1Cl.Cc1cnc(Cl)c(Br)c1.Cc1cnccc1Cl
InChIInChI=1S/C15H17NO.C12H12N2O.C9H9N3.C9H11NO2.C9H12.C8H11NO3S.C8H9NO.2C7H6Cl2.C7H6F2.C7H7F.C7H9NO2S.C6H5BrClN.4C6H6ClN.C6H8N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-3-4-9(10-7-8)12-6-2-5-11-12;1-6-3-4-7(12-2)5-8(6)9(10)11;1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)8(9)10;1-5-2-6(8)4-7(9)3-5;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-5(7)6(8)9-3-4;1-5-4-8-3-2-6(5)7;1-5-2-3-8-4-6(5)7;1-5-2-3-6(7)8-4-5;1-5-3-2-4-8-6(5)7;1-5-2-3-6(7)8-4-5/h3-10,16H,11H2,1-2H3;2-6H,13H2,1H3,(H2,14,15);2-7H,1H3;3-5H,1-2H3,(H2,10,11);4-7H,3H2,1-2H3;3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,9,10);3*2-4H,1H3;2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3;4*2-4H,1H3;2-4H,1H3,(H2,7,8)
InChIKeyFWUKQFDCLGLIFP-UHFFFAOYSA-N
XLogP36.03
TPSA449.40 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002764.98
LogP ≤ 536.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine?
The IUPAC name of 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine (CID 158165561) is 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine.
What is the SMILES notation for 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine?
The canonical SMILES for 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine is CCc1ccc(C)cc1.COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(CNc2ccccc2)c1.COc1ccc(C)c(S(N)(=O)=O)c1.Cc1cc(Cl)cc(Cl)c1.Cc1cc(Cl)ccc1Cl.Cc1cc2c(N)cccc2cc1C(N)=O.Cc1ccc(-n2cccn2)nc1.Cc1ccc(Cl)nc1.Cc1ccc(F)c(F)c1.Cc1ccc(F)cc1.Cc1ccc(N)nc1.Cc1ccccc1C(N)=O.Cc1ccccc1S(N)(=O)=O.Cc1cccnc1Cl.Cc1ccncc1Cl.Cc1cnc(Cl)c(Br)c1.Cc1cnccc1Cl.
What is the InChIKey of 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine?
The InChIKey is FWUKQFDCLGLIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.C12H12N2O.C9H9N3.C9H11NO2.C9H12.C8H11NO3S.C8H9NO.2C7H6Cl2.C7H6F2.C7H7F.C7H9NO2S.C6H5BrClN.4C6H6ClN.C6H8N2/c1-12-8-9-15(17-2)10-13(12)11-16-14-6-4-3-5-7-14;1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-8-3-4-9(10-7-8)12-6-2-5-11-12;1-6-3-4-7(12-2)5-8(6)9(10)11;1-3-9-6-4-8(2)5-7-9;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-4-2-3-5-7(6)8(9)10;1-5-2-6(8)4-7(9)3-5;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-5(7)6(8)9-3-4;1-5-4-8-3-2-6(5)7;1-5-2-3-8-4-6(5)7;1-5-2-3-6(7)8-4-5;1-5-3-2-4-8-6(5)7;1-5-2-3-6(7)8-4-5/h3-10,16H,11H2,1-2H3;2-6H,13H2,1H3,(H2,14,15);2-7H,1H3;3-5H,1-2H3,(H2,10,11);4-7H,3H2,1-2H3;3-5H,1-2H3,(H2,9,10,11);2-5H,1H3,(H2,9,10);3*2-4H,1H3;2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3;4*2-4H,1H3;2-4H,1H3,(H2,7,8).
What are the key properties of 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine?
5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine has a molecular weight of 2764.98 g/mol, XLogP of 36.03, 13 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methylnaphthalene-2-carboxamide;3-bromo-2-chloro-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-5-methylpyridine;3-chloro-4-methylpyridine;4-chloro-3-methylpyridine;1,3-dichloro-5-methylbenzene;1,4-dichloro-2-methylbenzene;1,2-difluoro-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-4-methylbenzene;5-methoxy-2-methylbenzamide;5-methoxy-2-methylbenzenesulfonamide;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-2-pyrazol-1-ylpyridine;5-methylpyridin-2-amine is sourced from PubChem (CID 158165561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).