2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide

C13H18FN3O2 — CID 102870310

IUPAC2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)N(CCCO)C2CCC2)c1F
InChIInChI=1S/C13H18FN3O2/c14-11-10(5-6-16-12(11)15)13(19)17(7-2-8-18)9-3-1-4-9/h5-6,9,18H,1-4,7-8H2,(H2,15,16)
InChIKeyOVMQDTIEBZTFMX-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide

2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 102870310) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
PubChem CID102870310
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)N(CCCO)C2CCC2)c1F
InChIInChI=1S/C13H18FN3O2/c14-11-10(5-6-16-12(11)15)13(19)17(7-2-8-18)9-3-1-4-9/h5-6,9,18H,1-4,7-8H2,(H2,15,16)
InChIKeyOVMQDTIEBZTFMX-UHFFFAOYSA-N
XLogP1.18
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide (CID 102870310) is 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide is Nc1nccc(C(=O)N(CCCO)C2CCC2)c1F.
What is the InChIKey of 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is OVMQDTIEBZTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-11-10(5-6-16-12(11)15)13(19)17(7-2-8-18)9-3-1-4-9/h5-6,9,18H,1-4,7-8H2,(H2,15,16).
What are the key properties of 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide?
2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 102870310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).