5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide

C13H18FN3O — CID 114034997

IUPAC5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(F)cc1C(=O)NC1CC1C
InChIInChI=1S/C13H18FN3O/c1-3-4-15-12-10(6-9(14)7-16-12)13(18)17-11-5-8(11)2/h6-8,11H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYKLDAJWMYMUOFB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.18
Rot. Bonds5

About 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide

5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 114034997) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID114034997
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(F)cc1C(=O)NC1CC1C
InChIInChI=1S/C13H18FN3O/c1-3-4-15-12-10(6-9(14)7-16-12)13(18)17-11-5-8(11)2/h6-8,11H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYKLDAJWMYMUOFB-UHFFFAOYSA-N
XLogP2.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide (CID 114034997) is 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(F)cc1C(=O)NC1CC1C.
What is the InChIKey of 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is YKLDAJWMYMUOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-3-4-15-12-10(6-9(14)7-16-12)13(18)17-11-5-8(11)2/h6-8,11H,3-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide?
5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methylcyclopropyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 114034997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).