N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide

C13H18N4O — CID 105068056

IUPACN-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)CCC#N
InChIInChI=1S/C13H18N4O/c1-3-7-16-12-10-15-8-5-11(12)13(18)17(2)9-4-6-14/h5,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyOGQXAQFUEBCCIT-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.89
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide

N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105068056) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
PubChem CID105068056
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)CCC#N
InChIInChI=1S/C13H18N4O/c1-3-7-16-12-10-15-8-5-11(12)13(18)17(2)9-4-6-14/h5,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyOGQXAQFUEBCCIT-UHFFFAOYSA-N
XLogP1.89
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
CID 105069192
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
N-(3-methoxypropyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105069961
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
3-(ethylamino)-N-methyl-N-propylpyridine-4-carboxamide
CID 105068562
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81255891
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070360
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide (CID 105068056) is N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is OGQXAQFUEBCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-7-16-12-10-15-8-5-11(12)13(18)17(2)9-4-6-14/h5,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide?
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).