4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide

C13H17N3O — CID 11031719

IUPAC4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
SMILESCC(C)N(C(=O)c1cc(C#N)ccn1)C(C)C
InChIInChI=1S/C13H17N3O/c1-9(2)16(10(3)4)13(17)12-7-11(8-14)5-6-15-12/h5-7,9-10H,1-4H3
InChIKeyWWJXDPZTGAUTHS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.21
Rot. Bonds3

About 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide

4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide (PubChem CID 11031719) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
PubChem CID11031719
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
SMILESCC(C)N(C(=O)c1cc(C#N)ccn1)C(C)C
InChIInChI=1S/C13H17N3O/c1-9(2)16(10(3)4)13(17)12-7-11(8-14)5-6-15-12/h5-7,9-10H,1-4H3
InChIKeyWWJXDPZTGAUTHS-UHFFFAOYSA-N
XLogP2.21
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 115116827
4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 115116809
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
4-cyano-N-(4-methylpentyl)pyridine-2-carboxamide
CID 115116900
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 115116879
4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116825
4-cyano-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 115116842
N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877466
N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877468
N-[(1R,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877465
4-chloro-N-(cyanomethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 103758603

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide (CID 11031719) is 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide is CC(C)N(C(=O)c1cc(C#N)ccn1)C(C)C.
What is the InChIKey of 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide?
The InChIKey is WWJXDPZTGAUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)16(10(3)4)13(17)12-7-11(8-14)5-6-15-12/h5-7,9-10H,1-4H3.
What are the key properties of 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide?
4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 11031719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).