2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

C13H19FN4O — CID 105387034

IUPAC2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(N)c1F)N1CCCC1
InChIInChI=1S/C13H19FN4O/c1-9(18-6-2-3-7-18)8-17-13(19)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16)(H,17,19)
InChIKeyQHWNSNALWCVOPY-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.02
Rot. Bonds4

About 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 105387034) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID105387034
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(N)c1F)N1CCCC1
InChIInChI=1S/C13H19FN4O/c1-9(18-6-2-3-7-18)8-17-13(19)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16)(H,17,19)
InChIKeyQHWNSNALWCVOPY-UHFFFAOYSA-N
XLogP1.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
2-chloro-4-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031094
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
4-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031098
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 105387682

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide (CID 105387034) is 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is CC(CNC(=O)c1ccnc(N)c1F)N1CCCC1.
What is the InChIKey of 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is QHWNSNALWCVOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-9(18-6-2-3-7-18)8-17-13(19)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16)(H,17,19).
What are the key properties of 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105387034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).