4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide

C14H10FN3O — CID 115116825

IUPAC4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(C#N)ccn1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O/c1-18(12-4-2-3-11(15)8-12)14(19)13-7-10(9-16)5-6-17-13/h2-8H,1H3
InChIKeyXFCLLSNQQQTQKI-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.37
Rot. Bonds2

About 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide

4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 115116825) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
PubChem CID115116825
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cc(C#N)ccn1)c1cccc(F)c1
InChIInChI=1S/C14H10FN3O/c1-18(12-4-2-3-11(15)8-12)14(19)13-7-10(9-16)5-6-17-13/h2-8H,1H3
InChIKeyXFCLLSNQQQTQKI-UHFFFAOYSA-N
XLogP2.37
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(3,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 115116809
N-(3-fluorophenyl)-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248954
4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116999
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 115116827
4-cyano-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 115116879
N-tert-butyl-4-cyano-N-methylpyridine-2-carboxamide
CID 115116804
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
5-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981357
4-cyano-N,N-di(propan-2-yl)pyridine-2-carboxamide
CID 11031719
6-chloro-N-(3-fluorophenyl)-N-methylpyrazine-2-carboxamide
CID 114035325

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide (CID 115116825) is 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1cc(C#N)ccn1)c1cccc(F)c1.
What is the InChIKey of 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is XFCLLSNQQQTQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c1-18(12-4-2-3-11(15)8-12)14(19)13-7-10(9-16)5-6-17-13/h2-8H,1H3.
What are the key properties of 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide?
4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 255.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115116825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).