N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide

C16H16ClN3O — CID 113027169

IUPACN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2Cl)cn1)C1CC1
InChIInChI=1S/C16H16ClN3O/c17-14-4-2-1-3-12(14)9-18-13-7-8-15(19-10-13)20-16(21)11-5-6-11/h1-4,7-8,10-11,18H,5-6,9H2,(H,19,20,21)
InChIKeyZETFVKJREXNGLE-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.70
Rot. Bonds5

About N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 113027169) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID113027169
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2Cl)cn1)C1CC1
InChIInChI=1S/C16H16ClN3O/c17-14-4-2-1-3-12(14)9-18-13-7-8-15(19-10-13)20-16(21)11-5-6-11/h1-4,7-8,10-11,18H,5-6,9H2,(H,19,20,21)
InChIKeyZETFVKJREXNGLE-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
2-amino-N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]acetamide
CID 39178469
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113027177
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113027861
5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179863

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide (CID 113027169) is N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccc(NCc2ccccc2Cl)cn1)C1CC1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZETFVKJREXNGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-14-4-2-1-3-12(14)9-18-13-7-8-15(19-10-13)20-16(21)11-5-6-11/h1-4,7-8,10-11,18H,5-6,9H2,(H,19,20,21).
What are the key properties of N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113027169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).