N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide

C15H13N3O — CID 143478895

IUPACN-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccccc2C#N)cn1
InChIInChI=1S/C15H13N3O/c1-11(19)17-10-14-7-6-13(9-18-14)15-5-3-2-4-12(15)8-16/h2-7,9H,10H2,1H3,(H,17,19)
InChIKeyFHDPIMWWPMOHBY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.26
Rot. Bonds3

About N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide

N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide (PubChem CID 143478895) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide
PubChem CID143478895
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccccc2C#N)cn1
InChIInChI=1S/C15H13N3O/c1-11(19)17-10-14-7-6-13(9-18-14)15-5-3-2-4-12(15)8-16/h2-7,9H,10H2,1H3,(H,17,19)
InChIKeyFHDPIMWWPMOHBY-UHFFFAOYSA-N
XLogP2.26
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-bromoethyl)-3-pyridinyl]benzonitrile
CID 174666708
(E)-3-acetamido-2-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]hept-2-enoic acid
CID 67979624
methyl 3-amino-2-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]hept-2-enoate
CID 141295805
N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide
CID 141078300
tert-butyl N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 11529658
2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid
CID 110097479
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(2-cyanophenyl)benzamide
CID 33002723
(5-fluoro-2-pyridinyl)methanamine;N-[(5-fluoro-2-pyridinyl)methyl]acetamide
CID 160901268
2-[6-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-3-pyridinyl]benzoic acid
CID 110097483
N-[[4-(2-cyanophenyl)phenyl]methyl]-1-methoxycyclopropane-1-carboxamide
CID 166239850
2-phenylbenzonitrile;urea
CID 162064762
2-amino-6-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520955

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide (CID 143478895) is N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc(-c2ccccc2C#N)cn1.
What is the InChIKey of N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide?
The InChIKey is FHDPIMWWPMOHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11(19)17-10-14-7-6-13(9-18-14)15-5-3-2-4-12(15)8-16/h2-7,9H,10H2,1H3,(H,17,19).
What are the key properties of N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide?
N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 143478895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).