2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide

C22H22N4O2 — CID 109176756

IUPAC2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3c(C)cccc3C)ccn2)c1
InChIInChI=1S/C22H22N4O2/c1-14-6-4-7-15(2)21(14)26-22(28)17-10-11-23-20(12-17)25-19-9-5-8-18(13-19)24-16(3)27/h4-13H,1-3H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyPGYOQCCWWYFHGW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.65
Rot. Bonds5

About 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide

2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 109176756) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
PubChem CID109176756
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cc(C(=O)Nc3c(C)cccc3C)ccn2)c1
InChIInChI=1S/C22H22N4O2/c1-14-6-4-7-15(2)21(14)26-22(28)17-10-11-23-20(12-17)25-19-9-5-8-18(13-19)24-16(3)27/h4-13H,1-3H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyPGYOQCCWWYFHGW-UHFFFAOYSA-N
XLogP4.65
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177121
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176712
6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109162750
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178041
N-(2,6-dimethylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62247235
2-(3-acetamidoanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177884
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109177005
N-(2-ethyl-6-methylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109176999
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide (CID 109176756) is 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide is CC(=O)Nc1cccc(Nc2cc(C(=O)Nc3c(C)cccc3C)ccn2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is PGYOQCCWWYFHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-6-4-7-15(2)21(14)26-22(28)17-10-11-23-20(12-17)25-19-9-5-8-18(13-19)24-16(3)27/h4-13H,1-3H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide?
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109176756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).