4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

C21H20ClN3O2 — CID 109210465

IUPAC4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)NCc3ccc(C)cc3)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O2/c1-14-3-5-15(6-4-14)13-24-21(26)19-12-17(9-10-23-19)25-16-7-8-20(27-2)18(22)11-16/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUTLKISCBQBWCEA-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.73
Rot. Bonds6

About 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide

4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210465) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210465
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)NCc3ccc(C)cc3)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O2/c1-14-3-5-15(6-4-14)13-24-21(26)19-12-17(9-10-23-19)25-16-7-8-20(27-2)18(22)11-16/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUTLKISCBQBWCEA-UHFFFAOYSA-N
XLogP4.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205769
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
4-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214143
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109211667
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210465) is 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is COc1ccc(Nc2ccnc(C(=O)NCc3ccc(C)cc3)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is UTLKISCBQBWCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-3-5-15(6-4-14)13-24-21(26)19-12-17(9-10-23-19)25-16-7-8-20(27-2)18(22)11-16/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide?
4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).