4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide

C22H23N3O2 — CID 109219027

IUPAC4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-15(2)27-19-10-8-17(9-11-19)25-22(26)21-14-18(12-13-23-21)24-20-7-5-4-6-16(20)3/h4-15H,1-3H3,(H,23,24)(H,25,26)
InChIKeyOQKIKQINYLJAFT-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.17
Rot. Bonds6

About 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide

4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109219027) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109219027
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCc1ccccc1Nc1ccnc(C(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-15(2)27-19-10-8-17(9-11-19)25-22(26)21-14-18(12-13-23-21)24-20-7-5-4-6-16(20)3/h4-15H,1-3H3,(H,23,24)(H,25,26)
InChIKeyOQKIKQINYLJAFT-UHFFFAOYSA-N
XLogP5.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
4-(3-methoxyanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221601
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
2-N-(2-fluorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109092654
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220562
4-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219771
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109219027) is 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is Cc1ccccc1Nc1ccnc(C(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is OQKIKQINYLJAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)27-19-10-8-17(9-11-19)25-22(26)21-14-18(12-13-23-21)24-20-7-5-4-6-16(20)3/h4-15H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).