2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide

C13H18FN3O2 — CID 105386353

IUPAC2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C13H18FN3O2/c1-17(7-9-3-2-6-19-8-9)13(18)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16)
InChIKeyBAVIQFGGOZNWLP-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide

2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 105386353) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID105386353
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1ccnc(N)c1F
InChIInChI=1S/C13H18FN3O2/c1-17(7-9-3-2-6-19-8-9)13(18)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16)
InChIKeyBAVIQFGGOZNWLP-UHFFFAOYSA-N
XLogP1.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)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-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
4-amino-N,6-dimethyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81241215
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
4-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81242094
2-amino-N-cyclopropyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 105384758
2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105385823
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115679005

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide (CID 105386353) is 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide is CN(CC1CCCOC1)C(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is BAVIQFGGOZNWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-17(7-9-3-2-6-19-8-9)13(18)10-4-5-16-12(15)11(10)14/h4-5,9H,2-3,6-8H2,1H3,(H2,15,16).
What are the key properties of 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105386353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).