2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

C17H17N3O — CID 82179368

IUPAC2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCN(CCc1ccncc1)C(=O)c1ccccc1CC#N
InChIInChI=1S/C17H17N3O/c1-20(13-9-14-7-11-19-12-8-14)17(21)16-5-3-2-4-15(16)6-10-18/h2-5,7-8,11-12H,6,9,13H2,1H3
InChIKeyPWTORNQEIMXUJM-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.46
Rot. Bonds5

About 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide

2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 82179368) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID82179368
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
SMILESCN(CCc1ccncc1)C(=O)c1ccccc1CC#N
InChIInChI=1S/C17H17N3O/c1-20(13-9-14-7-11-19-12-8-14)17(21)16-5-3-2-4-15(16)6-10-18/h2-5,7-8,11-12H,6,9,13H2,1H3
InChIKeyPWTORNQEIMXUJM-UHFFFAOYSA-N
XLogP2.46
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyanomethyl)benzoyl]-methylamino]acetic acid
CID 82179366
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
2-N-methyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085525
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948933
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
2-(ethylamino)-N-methyl-N-(2-phenylethyl)benzamide
CID 63108183
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 110852590
N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide (CID 82179368) is 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is CN(CCc1ccncc1)C(=O)c1ccccc1CC#N.
What is the InChIKey of 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is PWTORNQEIMXUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(13-9-14-7-11-19-12-8-14)17(21)16-5-3-2-4-15(16)6-10-18/h2-5,7-8,11-12H,6,9,13H2,1H3.
What are the key properties of 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide?
2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 82179368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).