5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C22H22ClN3O2 — CID 109232606

IUPAC5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1cncc(C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C22H22ClN3O2/c1-14-4-6-16(7-5-14)11-25-22(27)17-9-18(13-24-12-17)26-20-8-15(2)19(23)10-21(20)28-3/h4-10,12-13,26H,11H2,1-3H3,(H,25,27)
InChIKeyPRXIRZUOEFSOAF-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.03
Rot. Bonds6

About 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109232606) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109232606
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1cncc(C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C22H22ClN3O2/c1-14-4-6-16(7-5-14)11-25-22(27)17-9-18(13-24-12-17)26-20-8-15(2)19(23)10-21(20)28-3/h4-10,12-13,26H,11H2,1-3H3,(H,25,27)
InChIKeyPRXIRZUOEFSOAF-UHFFFAOYSA-N
XLogP5.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235620
N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109239364
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158195
N-[(4-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109232551
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
5-N-(3-chloro-4-methylphenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105312
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121501
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 109232606) is 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is COc1cc(Cl)c(C)cc1Nc1cncc(C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is PRXIRZUOEFSOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14-4-6-16(7-5-14)11-25-22(27)17-9-18(13-24-12-17)26-20-8-15(2)19(23)10-21(20)28-3/h4-10,12-13,26H,11H2,1-3H3,(H,25,27).
What are the key properties of 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methoxy-5-methylanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109232606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).