2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide

C17H16ClN3O2 — CID 109078522

IUPAC2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)NC3CC3)ccn2)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-10-2-3-13(9-14(10)18)21-17(23)15-8-11(6-7-19-15)16(22)20-12-4-5-12/h2-3,6-9,12H,4-5H2,1H3,(H,20,22)(H,21,23)
InChIKeyXZBZQPWWXLWGLF-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.19
Rot. Bonds4

About 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide

2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide (PubChem CID 109078522) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
PubChem CID109078522
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)NC3CC3)ccn2)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-10-2-3-13(9-14(10)18)21-17(23)15-8-11(6-7-19-15)16(22)20-12-4-5-12/h2-3,6-9,12H,4-5H2,1H3,(H,20,22)(H,21,23)
InChIKeyXZBZQPWWXLWGLF-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
4-N-(3-chloro-4-fluorophenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078718
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
4-N-cyclohexyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109081429
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide (CID 109078522) is 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2cc(C(=O)NC3CC3)ccn2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide?
The InChIKey is XZBZQPWWXLWGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-2-3-13(9-14(10)18)21-17(23)15-8-11(6-7-19-15)16(22)20-12-4-5-12/h2-3,6-9,12H,4-5H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide?
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide has a molecular weight of 329.79 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).