5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide

C16H16ClN3O — CID 109179863

IUPAC5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C16H16ClN3O/c17-14-4-2-1-3-11(14)9-18-13-7-8-15(19-10-13)16(21)20-12-5-6-12/h1-4,7-8,10,12,18H,5-6,9H2,(H,20,21)
InChIKeyZMVAQBBCQAUGOR-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.24
Rot. Bonds5

About 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide

5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 109179863) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
PubChem CID109179863
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C16H16ClN3O/c17-14-4-2-1-3-11(14)9-18-13-7-8-15(19-10-13)16(21)20-12-5-6-12/h1-4,7-8,10,12,18H,5-6,9H2,(H,20,21)
InChIKeyZMVAQBBCQAUGOR-UHFFFAOYSA-N
XLogP3.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 109281904
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866
5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109189944
5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179867
5-(ethylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 104639829
N-cyclohexyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109182916
5-[(2-chlorophenyl)methylamino]-N-quinolin-8-ylpyridine-2-carboxamide
CID 109189981
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide (CID 109179863) is 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide is O=C(NC1CC1)c1ccc(NCc2ccccc2Cl)cn1.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is ZMVAQBBCQAUGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-4-2-1-3-11(14)9-18-13-7-8-15(19-10-13)16(21)20-12-5-6-12/h1-4,7-8,10,12,18H,5-6,9H2,(H,20,21).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide?
5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 109179863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).