N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide

C17H19N3O — CID 113011542

IUPACN-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccccc1CNc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C17H19N3O/c1-12-4-2-3-5-14(12)10-18-16-9-8-15(11-19-16)20-17(21)13-6-7-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyVCCJZBOFOOXEKB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds5

About N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide

N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 113011542) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID113011542
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
SMILESCc1ccccc1CNc1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C17H19N3O/c1-12-4-2-3-5-14(12)10-18-16-9-8-15(11-19-16)20-17(21)13-6-7-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyVCCJZBOFOOXEKB-UHFFFAOYSA-N
XLogP3.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113026538
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113012244
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026477
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027369
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113010317

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide (CID 113011542) is N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide is Cc1ccccc1CNc1ccc(NC(=O)C2CC2)cn1.
What is the InChIKey of N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is VCCJZBOFOOXEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-4-2-3-5-14(12)10-18-16-9-8-15(11-19-16)20-17(21)13-6-7-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide?
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113011542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).