2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide

C15H13F2N3O — CID 84574316

IUPAC2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cccnc1NC1CC1
InChIInChI=1S/C15H13F2N3O/c16-9-3-6-12(17)13(8-9)20-15(21)11-2-1-7-18-14(11)19-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,18,19)(H,20,21)
InChIKeyNDXLNOQLTTXBCN-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.19
Rot. Bonds4

About 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide

2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide (PubChem CID 84574316) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
PubChem CID84574316
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1cccnc1NC1CC1
InChIInChI=1S/C15H13F2N3O/c16-9-3-6-12(17)13(8-9)20-15(21)11-2-1-7-18-14(11)19-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,18,19)(H,20,21)
InChIKeyNDXLNOQLTTXBCN-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide (CID 84574316) is 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide is O=C(Nc1cc(F)ccc1F)c1cccnc1NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is NDXLNOQLTTXBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-9-3-6-12(17)13(8-9)20-15(21)11-2-1-7-18-14(11)19-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,18,19)(H,20,21).
What are the key properties of 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide?
2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 84574316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).