3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide

C13H18FN3O2 — CID 105387635

IUPAC3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)C2CCOC2)c1F
InChIInChI=1S/C13H18FN3O2/c1-8(9-4-6-19-7-9)17-13(18)10-3-5-16-12(15-2)11(10)14/h3,5,8-9H,4,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCSARPGFQOVRYOD-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.42
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105387635) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID105387635
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC(C)C2CCOC2)c1F
InChIInChI=1S/C13H18FN3O2/c1-8(9-4-6-19-7-9)17-13(18)10-3-5-16-12(15-2)11(10)14/h3,5,8-9H,4,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCSARPGFQOVRYOD-UHFFFAOYSA-N
XLogP1.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
5-chloro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 114924748
N-(1-cyclobutylethyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387527
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165
2-[3-[1-(oxolan-3-yl)ethylcarbamoyl]furan-2-yl]acetic acid
CID 114217885
6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 115869095
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113342855
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115648956
2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 99614822

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide (CID 105387635) is 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide is CNc1nccc(C(=O)NC(C)C2CCOC2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is CSARPGFQOVRYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8(9-4-6-19-7-9)17-13(18)10-3-5-16-12(15-2)11(10)14/h3,5,8-9H,4,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105387635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).