N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C15H13FN4O — CID 115496717

IUPACN-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESN#CCCN(Cc1cccnc1)C(=O)c1cccc(F)n1
InChIInChI=1S/C15H13FN4O/c16-14-6-1-5-13(19-14)15(21)20(9-3-7-17)11-12-4-2-8-18-10-12/h1-2,4-6,8,10H,3,9,11H2
InChIKeySXTQAHBEQYSICH-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.17
Rot. Bonds5

About N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 115496717) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID115496717
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC NameN-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESN#CCCN(Cc1cccnc1)C(=O)c1cccc(F)n1
InChIInChI=1S/C15H13FN4O/c16-14-6-1-5-13(19-14)15(21)20(9-3-7-17)11-12-4-2-8-18-10-12/h1-2,4-6,8,10H,3,9,11H2
InChIKeySXTQAHBEQYSICH-UHFFFAOYSA-N
XLogP2.17
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 134013348
1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115667786
N-(2-cyanoethyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43582269
2-bromo-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 103752639
2-amino-N-(2-cyanoethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792882
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
N-(2-cyanoethyl)-4-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-2-carboxamide
CID 71999371
N-(2-cyanoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 86864868
1-[2-cyanoethyl(pyridin-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095546
N-(2-cyanoethyl)-6-fluoro-2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 42750171
2-[2-[2-cyanoethyl(pyridin-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 60662590
(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 115496717) is N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is N#CCCN(Cc1cccnc1)C(=O)c1cccc(F)n1.
What is the InChIKey of N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SXTQAHBEQYSICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-14-6-1-5-13(19-14)15(21)20(9-3-7-17)11-12-4-2-8-18-10-12/h1-2,4-6,8,10H,3,9,11H2.
What are the key properties of N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115496717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).