4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide

C17H17N3O2 — CID 121085063

IUPAC4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O2/c1-22-11-10-20(13-15-6-8-19-9-7-15)17(21)16-4-2-14(12-18)3-5-16/h2-9H,10-11,13H2,1H3
InChIKeyRFQYSKSUGHVBID-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.24
Rot. Bonds6

About 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide

4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 121085063) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID121085063
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O2/c1-22-11-10-20(13-15-6-8-19-9-7-15)17(21)16-4-2-14(12-18)3-5-16/h2-9H,10-11,13H2,1H3
InChIKeyRFQYSKSUGHVBID-UHFFFAOYSA-N
XLogP2.24
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 52906834
N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 121085114
3-[(3-bromobenzoyl)amino]-N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)benzamide
CID 112832674
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112821210
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 146089786
1-N-(4-cyanophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048122
N-(2-methoxyethyl)-2-oxo-6-phenyl-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 72872777
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
CID 134023429
(E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide
CID 166316469
methyl 6-[(4-cyanophenyl)methyl-[2-(dimethylamino)ethyl]carbamoyl]pyridine-3-carboxylate
CID 60573978

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide (CID 121085063) is 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide is COCCN(Cc1ccncc1)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is RFQYSKSUGHVBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-11-10-20(13-15-6-8-19-9-7-15)17(21)16-4-2-14(12-18)3-5-16/h2-9H,10-11,13H2,1H3.
What are the key properties of 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide?
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 295.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 121085063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).