5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide

C20H17ClN4O2 — CID 109244585

IUPAC5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cncc(C(=O)Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-17-3-2-4-18(10-17)24-19-9-14(11-22-12-19)20(27)25-16-7-5-15(21)6-8-16/h2-12,24H,1H3,(H,23,26)(H,25,27)
InChIKeyQOIFFOCVSTUCGU-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.69
Rot. Bonds5

About 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide

5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide (PubChem CID 109244585) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
PubChem CID109244585
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2cncc(C(=O)Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)23-17-3-2-4-18(10-17)24-19-9-14(11-22-12-19)20(27)25-16-7-5-15(21)6-8-16/h2-12,24H,1H3,(H,23,26)(H,25,27)
InChIKeyQOIFFOCVSTUCGU-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

N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
5-(4-acetamidoanilino)-N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109234047
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
methyl 3-[[5-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244492
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
N-(3-acetamidophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241783
5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227768

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide (CID 109244585) is 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide is CC(=O)Nc1cccc(Nc2cncc(C(=O)Nc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is QOIFFOCVSTUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13(26)23-17-3-2-4-18(10-17)24-19-9-14(11-22-12-19)20(27)25-16-7-5-15(21)6-8-16/h2-12,24H,1H3,(H,23,26)(H,25,27).
What are the key properties of 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide?
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-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 5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).