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

C13H18FN3O2 — CID 105385671

IUPAC3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCC2CCCO2)c1F
InChIInChI=1S/C13H18FN3O2/c1-15-12-11(14)10(5-7-16-12)13(18)17-6-4-9-3-2-8-19-9/h5,7,9H,2-4,6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyGVMVLVDJTFMRJT-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.56
Rot. Bonds5

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

3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105385671) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID105385671
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCC2CCCO2)c1F
InChIInChI=1S/C13H18FN3O2/c1-15-12-11(14)10(5-7-16-12)13(18)17-6-4-9-3-2-8-19-9/h5,7,9H,2-4,6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyGVMVLVDJTFMRJT-UHFFFAOYSA-N
XLogP1.56
TPSA63.25 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386266
3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 80707090
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide (CID 105385671) is 3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide is CNc1nccc(C(=O)NCCC2CCCO2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is GVMVLVDJTFMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-15-12-11(14)10(5-7-16-12)13(18)17-6-4-9-3-2-8-19-9/h5,7,9H,2-4,6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.56, 5 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-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105385671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).