N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide

C23H25N3O2 — CID 109243868

IUPACN-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cncc(Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-15(2)17-6-8-19(9-7-17)25-20-12-18(13-24-14-20)23(27)26-21-11-16(3)5-10-22(21)28-4/h5-15,25H,1-4H3,(H,26,27)
InChIKeyKUWPIKVCLMSMQW-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.52
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109243868) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109243868
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cncc(Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H25N3O2/c1-15(2)17-6-8-19(9-7-17)25-20-12-18(13-24-14-20)23(27)26-21-11-16(3)5-10-22(21)28-4/h5-15,25H,1-4H3,(H,26,27)
InChIKeyKUWPIKVCLMSMQW-UHFFFAOYSA-N
XLogP5.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244574
5-(1,3-benzodioxol-5-ylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109245515
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244246
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292055
5-(2,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243833
5-(butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109224665
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
N-(2-cyanophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245547

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide (CID 109243868) is N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cncc(Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is KUWPIKVCLMSMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)17-6-8-19(9-7-17)25-20-12-18(13-24-14-20)23(27)26-21-11-16(3)5-10-22(21)28-4/h5-15,25H,1-4H3,(H,26,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).