5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide

C13H10FN5O — CID 82012776

IUPAC5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
SMILESN#Cc1cc(F)ccc1Nc1ncc(N)cc1C(N)=O
InChIInChI=1S/C13H10FN5O/c14-8-1-2-11(7(3-8)5-15)19-13-10(12(17)20)4-9(16)6-18-13/h1-4,6H,16H2,(H2,17,20)(H,18,19)
InChIKeyLYXVCLNGVPACMD-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.52
Rot. Bonds3

About 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide

5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 82012776) has the molecular formula C13H10FN5O and a molecular weight of 271.26 g/mol. Its IUPAC name is 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
PubChem CID82012776
Molecular FormulaC13H10FN5O
Molecular Weight271.26 g/mol
Exact Mass271.09
IUPAC Name5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
SMILESN#Cc1cc(F)ccc1Nc1ncc(N)cc1C(N)=O
InChIInChI=1S/C13H10FN5O/c14-8-1-2-11(7(3-8)5-15)19-13-10(12(17)20)4-9(16)6-18-13/h1-4,6H,16H2,(H2,17,20)(H,18,19)
InChIKeyLYXVCLNGVPACMD-UHFFFAOYSA-N
XLogP1.52
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide (CID 82012776) is 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide is N#Cc1cc(F)ccc1Nc1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is LYXVCLNGVPACMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c14-8-1-2-11(7(3-8)5-15)19-13-10(12(17)20)4-9(16)6-18-13/h1-4,6H,16H2,(H2,17,20)(H,18,19).
What are the key properties of 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide?
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 271.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 82012776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).