N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide

C21H20ClN3O2 — CID 109211667

IUPACN-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccnc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-14-7-8-20(27-2)18(11-14)25-16-9-10-23-19(12-16)21(26)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFHXLIDKOFYHOHO-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.73
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide (PubChem CID 109211667) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
PubChem CID109211667
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccnc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-14-7-8-20(27-2)18(11-14)25-16-9-10-23-19(12-16)21(26)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFHXLIDKOFYHOHO-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

4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209990
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
N-(2,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109219739
N-(4-acetamidophenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109221888
4-(2-methoxy-5-methylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201419
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210465
N-[(2-chlorophenyl)methyl]-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109211690
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide (CID 109211667) is N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide is COc1ccc(C)cc1Nc1ccnc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The InChIKey is FHXLIDKOFYHOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-7-8-20(27-2)18(11-14)25-16-9-10-23-19(12-16)21(26)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)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 N-[(2-chlorophenyl)methyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109211667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).