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

C15H14ClN3O2 — CID 112520426

IUPAC2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2ccccc2Cl)ccn1
InChIInChI=1S/C15H14ClN3O2/c1-10(20)18-9-12-8-11(6-7-17-12)15(21)19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyKSCAIQMROYPLEK-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.62
Rot. Bonds4

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

2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide (PubChem CID 112520426) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
PubChem CID112520426
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
SMILESCC(=O)NCc1cc(C(=O)Nc2ccccc2Cl)ccn1
InChIInChI=1S/C15H14ClN3O2/c1-10(20)18-9-12-8-11(6-7-17-12)15(21)19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyKSCAIQMROYPLEK-UHFFFAOYSA-N
XLogP2.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
CID 112526496
2-(acetamidomethyl)-N-(2-methylpyrimidin-5-yl)pyridine-4-carboxamide
CID 112524228
2-(4-acetamidoanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177376
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 112524302
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
2-N-(2-chlorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085561
2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092798
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
2-N-(2-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092591
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide (CID 112520426) is 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide is CC(=O)NCc1cc(C(=O)Nc2ccccc2Cl)ccn1.
What is the InChIKey of 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide?
The InChIKey is KSCAIQMROYPLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-10(20)18-9-12-8-11(6-7-17-12)15(21)19-14-5-3-2-4-13(14)16/h2-8H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide?
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 112520426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).