N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

C10H11N3O2 — CID 103764863

IUPACN-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(CC#N)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C10H11N3O2/c1-7(2-4-11)13-10(15)8-3-5-12-9(14)6-8/h3,5-7H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyPTVVBYBFTIQJBF-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.41
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide

N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103764863) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103764863
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCC(CC#N)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C10H11N3O2/c1-7(2-4-11)13-10(15)8-3-5-12-9(14)6-8/h3,5-7H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyPTVVBYBFTIQJBF-UHFFFAOYSA-N
XLogP0.41
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182
N-(1-cyanopropan-2-yl)-3,4-dihydroxybenzamide
CID 103956790
N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762776
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
CID 103872840
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147
N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759
N-(1-cyanopropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55220483
N-[(2S)-1-cyanopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 94346399
N-[(2S)-1-cyanopropan-2-yl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95049823
N-(1-cyanopropan-2-yl)quinoline-6-carboxamide
CID 55118524

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide (CID 103764863) is N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is CC(CC#N)NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is PTVVBYBFTIQJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(2-4-11)13-10(15)8-3-5-12-9(14)6-8/h3,5-7H,2H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide?
N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103764863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).