N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide

C17H19N3O — CID 113011952

IUPACN-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C17H19N3O/c1-20(12-13-5-3-2-4-6-13)16-10-9-15(11-18-16)19-17(21)14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,19,21)
InChIKeyZHLICHTXYLOQDA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds5

About N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide

N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 113011952) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide
PubChem CID113011952
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)C2CC2)cn1
InChIInChI=1S/C17H19N3O/c1-20(12-13-5-3-2-4-6-13)16-10-9-15(11-18-16)19-17(21)14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,19,21)
InChIKeyZHLICHTXYLOQDA-UHFFFAOYSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide
CID 113011955
tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
CID 113012011
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011998
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011981
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113015387
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109156294
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113013665
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide (CID 113011952) is N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide is CN(Cc1ccccc1)c1ccc(NC(=O)C2CC2)cn1.
What is the InChIKey of N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide?
The InChIKey is ZHLICHTXYLOQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20(12-13-5-3-2-4-6-13)16-10-9-15(11-18-16)19-17(21)14-7-8-14/h2-6,9-11,14H,7-8,12H2,1H3,(H,19,21).
What are the key properties of N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide?
N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113011952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).