5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide

C16H13FN4O — CID 71919813

IUPAC5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)nc1
InChIInChI=1S/C16H13FN4O/c17-12-2-1-3-13(20-11-5-6-11)15(12)21-16(22)14-7-4-10(8-18)9-19-14/h1-4,7,9,11,20H,5-6H2,(H,21,22)
InChIKeyPSNNOACUFPCRQW-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.92
Rot. Bonds4

About 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide

5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide (PubChem CID 71919813) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide
PubChem CID71919813
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)nc1
InChIInChI=1S/C16H13FN4O/c17-12-2-1-3-13(20-11-5-6-11)15(12)21-16(22)14-7-4-10(8-18)9-19-14/h1-4,7,9,11,20H,5-6H2,(H,21,22)
InChIKeyPSNNOACUFPCRQW-UHFFFAOYSA-N
XLogP2.92
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-[5-chloro-2-(cyclopropylamino)phenyl]-5-cyanopyridine-2-carboxamide
CID 71920481
5-(cyclopropylamino)-N-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 109180224
5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide
CID 107856982
5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 97052488
N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
CID 63723338
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
N-[2-(cyclopropylamino)-6-fluorophenyl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide
CID 166400062
N-(3-aminophenyl)-5-cyanopyridine-2-carboxamide
CID 63725037
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64741358
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide (CID 71919813) is 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)nc1.
What is the InChIKey of 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide?
The InChIKey is PSNNOACUFPCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-12-2-1-3-13(20-11-5-6-11)15(12)21-16(22)14-7-4-10(8-18)9-19-14/h1-4,7,9,11,20H,5-6H2,(H,21,22).
What are the key properties of 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide?
5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 71919813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).