N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide

C10H10FN3O — CID 64949290

IUPACN-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(CCC#N)C(=O)c1ccncc1F
InChIInChI=1S/C10H10FN3O/c1-14(6-2-4-12)10(15)8-3-5-13-7-9(8)11/h3,5,7H,2,6H2,1H3
InChIKeyWAMIBPPUEDIHIQ-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.21
Rot. Bonds3

About N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide

N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 64949290) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID64949290
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC NameN-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(CCC#N)C(=O)c1ccncc1F
InChIInChI=1S/C10H10FN3O/c1-14(6-2-4-12)10(15)8-3-5-13-7-9(8)11/h3,5,7H,2,6H2,1H3
InChIKeyWAMIBPPUEDIHIQ-UHFFFAOYSA-N
XLogP1.21
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-4-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81255891
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949105
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
3-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115646430
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 79652581
3-[2-cyanoethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105062562
3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 113240790
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 105416291
3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
CID 64950885

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide (CID 64949290) is N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide is CN(CCC#N)C(=O)c1ccncc1F.
What is the InChIKey of N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is WAMIBPPUEDIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-14(6-2-4-12)10(15)8-3-5-13-7-9(8)11/h3,5,7H,2,6H2,1H3.
What are the key properties of N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide?
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 207.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 64949290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).