5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide

C12H10F2N4O — CID 61359558

IUPAC5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Nc1cc(F)ccc1F
InChIInChI=1S/C12H10F2N4O/c13-6-1-2-9(14)10(3-6)18-12-8(11(16)19)4-7(15)5-17-12/h1-5H,15H2,(H2,16,19)(H,17,18)
InChIKeyNTSFYRXCKRNLQG-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.78
Rot. Bonds3

About 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide

5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide (PubChem CID 61359558) has the molecular formula C12H10F2N4O and a molecular weight of 264.24 g/mol. Its IUPAC name is 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
PubChem CID61359558
Molecular FormulaC12H10F2N4O
Molecular Weight264.24 g/mol
Exact Mass264.08
IUPAC Name5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1Nc1cc(F)ccc1F
InChIInChI=1S/C12H10F2N4O/c13-6-1-2-9(14)10(3-6)18-12-8(11(16)19)4-7(15)5-17-12/h1-5H,15H2,(H2,16,19)(H,17,18)
InChIKeyNTSFYRXCKRNLQG-UHFFFAOYSA-N
XLogP1.78
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide (CID 61359558) is 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1Nc1cc(F)ccc1F.
What is the InChIKey of 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide?
The InChIKey is NTSFYRXCKRNLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O/c13-6-1-2-9(14)10(3-6)18-12-8(11(16)19)4-7(15)5-17-12/h1-5H,15H2,(H2,16,19)(H,17,18).
What are the key properties of 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide?
5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide has a molecular weight of 264.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 61359558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).