N-(1-cyanobutan-2-yl)pyridine-4-carboxamide

C11H13N3O — CID 62648128

IUPACN-(1-cyanobutan-2-yl)pyridine-4-carboxamide
SMILESCCC(CC#N)NC(=O)c1ccncc1
InChIInChI=1S/C11H13N3O/c1-2-10(3-6-12)14-11(15)9-4-7-13-8-5-9/h4-5,7-8,10H,2-3H2,1H3,(H,14,15)
InChIKeyYNFQVVULJXGMES-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.50
Rot. Bonds4

About N-(1-cyanobutan-2-yl)pyridine-4-carboxamide

N-(1-cyanobutan-2-yl)pyridine-4-carboxamide (PubChem CID 62648128) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)pyridine-4-carboxamide
PubChem CID62648128
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(1-cyanobutan-2-yl)pyridine-4-carboxamide
SMILESCCC(CC#N)NC(=O)c1ccncc1
InChIInChI=1S/C11H13N3O/c1-2-10(3-6-12)14-11(15)9-4-7-13-8-5-9/h4-5,7-8,10H,2-3H2,1H3,(H,14,15)
InChIKeyYNFQVVULJXGMES-UHFFFAOYSA-N
XLogP1.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-(1-cyanobutan-2-yl)-3,4,5-trifluorobenzamide
CID 63185622
3-chloro-N-(1-cyanobutan-2-yl)-4-methylbenzamide
CID 63195232
4-bromo-N-(1-cyanobutan-2-yl)-3-hydroxybenzamide
CID 113442307
2-bromo-N-(1-cyanobutan-2-yl)pyridine-3-carboxamide
CID 104694857
N-[(2R)-1-cyanobutan-2-yl]-2,3-dihydroxybenzamide
CID 124571494
3-bromo-5-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 104694810
N-(1-cyanobutan-2-yl)-2,4-dimethylbenzamide
CID 62646698
N-hex-5-yn-3-ylpyridazine-4-carboxamide
CID 115769387
N-(1-cyanobutan-2-yl)-4-fluoro-3-nitrobenzamide
CID 55101211
2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide
CID 55101832
N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)pyridine-4-carboxamide (CID 62648128) is N-(1-cyanobutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)pyridine-4-carboxamide is CCC(CC#N)NC(=O)c1ccncc1.
What is the InChIKey of N-(1-cyanobutan-2-yl)pyridine-4-carboxamide?
The InChIKey is YNFQVVULJXGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-10(3-6-12)14-11(15)9-4-7-13-8-5-9/h4-5,7-8,10H,2-3H2,1H3,(H,14,15).
What are the key properties of N-(1-cyanobutan-2-yl)pyridine-4-carboxamide?
N-(1-cyanobutan-2-yl)pyridine-4-carboxamide has a molecular weight of 203.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 62648128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).