N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide

C10H11N3O2 — CID 103337352

IUPACN-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCC#N)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H11N3O2/c1-13(6-2-4-11)10(15)8-7-12-5-3-9(8)14/h3,5,7H,2,6H2,1H3,(H,12,14)
InChIKeyAFEIJANBRNWUKK-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.36
Rot. Bonds3

About N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337352) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337352
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCN(CCC#N)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H11N3O2/c1-13(6-2-4-11)10(15)8-7-12-5-3-9(8)14/h3,5,7H,2,6H2,1H3,(H,12,14)
InChIKeyAFEIJANBRNWUKK-UHFFFAOYSA-N
XLogP0.36
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 103337351
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CID 103337389
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336958
N-(furan-3-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039115
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N-(2-cyanoethyl)-N,3,4-trimethylbenzamide
CID 2215664
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
2-chloro-N-(2-cyanoethyl)-N-methyl-5-sulfanylbenzamide
CID 107021427
5-bromo-N-(2-cyanoethyl)-2-iodo-N-methylbenzamide
CID 99149210
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
N-(2-cyanoethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103337352) is N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide is CN(CCC#N)C(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AFEIJANBRNWUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13(6-2-4-11)10(15)8-7-12-5-3-9(8)14/h3,5,7H,2,6H2,1H3,(H,12,14).
What are the key properties of N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).