N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

C21H20ClN3O2 — CID 109244480

IUPACN-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-14(2)27-20-8-6-17(7-9-20)24-19-10-15(12-23-13-19)21(26)25-18-5-3-4-16(22)11-18/h3-14,24H,1-2H3,(H,25,26)
InChIKeyNEDFLCLTSZCGDV-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.52
Rot. Bonds6

About N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109244480) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109244480
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-14(2)27-20-8-6-17(7-9-20)24-19-10-15(12-23-13-19)21(26)25-18-5-3-4-16(22)11-18/h3-14,24H,1-2H3,(H,25,26)
InChIKeyNEDFLCLTSZCGDV-UHFFFAOYSA-N
XLogP5.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
methyl 3-[[5-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244492
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232839
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109244480) is N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is CC(C)Oc1ccc(Nc2cncc(C(=O)Nc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is NEDFLCLTSZCGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14(2)27-20-8-6-17(7-9-20)24-19-10-15(12-23-13-19)21(26)25-18-5-3-4-16(22)11-18/h3-14,24H,1-2H3,(H,25,26).
What are the key properties of N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide has a molecular weight of 381.86 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-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).