N,N-bis(2-cyanoethyl)pyridine-4-carboxamide

C12H12N4O — CID 51179878

IUPACN,N-bis(2-cyanoethyl)pyridine-4-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1ccncc1
InChIInChI=1S/C12H12N4O/c13-5-1-9-16(10-2-6-14)12(17)11-3-7-15-8-4-11/h3-4,7-8H,1-2,9-10H2
InChIKeyQXUITCBHNYTCOG-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.35
Rot. Bonds5

About N,N-bis(2-cyanoethyl)pyridine-4-carboxamide

N,N-bis(2-cyanoethyl)pyridine-4-carboxamide (PubChem CID 51179878) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)pyridine-4-carboxamide
PubChem CID51179878
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN,N-bis(2-cyanoethyl)pyridine-4-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1ccncc1
InChIInChI=1S/C12H12N4O/c13-5-1-9-16(10-2-6-14)12(17)11-3-7-15-8-4-11/h3-4,7-8H,1-2,9-10H2
InChIKeyQXUITCBHNYTCOG-UHFFFAOYSA-N
XLogP1.35
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis(2-cyanoethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N,N-bis(2-cyanoethyl)pyridine-4-carboxamide
CID 113255617
N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
N-(2-cyanoethyl)-N-ethyl-4-(trifluoromethyl)benzamide
CID 54992475
N,N-bis(2-cyanoethyl)-3-methylbenzamide
CID 2204619
2-bromo-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 103752639
N-(2-cyanoethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 57306314
N,N-bis(2-cyanoethyl)-4-(phenoxymethyl)benzamide
CID 78796248
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N,N-bis(2-cyanoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60953943
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)pyridine-4-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)pyridine-4-carboxamide (CID 51179878) is N,N-bis(2-cyanoethyl)pyridine-4-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)pyridine-4-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)pyridine-4-carboxamide is N#CCCN(CCC#N)C(=O)c1ccncc1.
What is the InChIKey of N,N-bis(2-cyanoethyl)pyridine-4-carboxamide?
The InChIKey is QXUITCBHNYTCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-5-1-9-16(10-2-6-14)12(17)11-3-7-15-8-4-11/h3-4,7-8H,1-2,9-10H2.
What are the key properties of N,N-bis(2-cyanoethyl)pyridine-4-carboxamide?
N,N-bis(2-cyanoethyl)pyridine-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)pyridine-4-carboxamide is sourced from PubChem (CID 51179878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).