2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide

C20H17ClN4O2 — CID 109177376

IUPAC2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)Nc3ccccc3Cl)ccn2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-15-6-8-16(9-7-15)24-19-12-14(10-11-22-19)20(27)25-18-5-3-2-4-17(18)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyQJICHBCBMKNMER-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.69
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide

2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide (PubChem CID 109177376) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
PubChem CID109177376
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(=O)Nc3ccccc3Cl)ccn2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-15-6-8-16(9-7-15)24-19-12-14(10-11-22-19)20(27)25-18-5-3-2-4-17(18)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyQJICHBCBMKNMER-UHFFFAOYSA-N
XLogP4.69
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177651
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176294
N-(4-acetamidophenyl)-2-(2-methoxyanilino)pyridine-4-carboxamide
CID 109177925
2-(2-chloroanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177396
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177564
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
2-N-(2-chlorophenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092468
2-(3-acetamidoanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177884
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide (CID 109177376) is 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide is CC(=O)Nc1ccc(Nc2cc(C(=O)Nc3ccccc3Cl)ccn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is QJICHBCBMKNMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13(26)23-15-6-8-16(9-7-15)24-19-12-14(10-11-22-19)20(27)25-18-5-3-2-4-17(18)21/h2-12H,1H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide?
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).