3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide

C12H17N3O3 — CID 104761387

IUPAC3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
SMILESCOC1(CNC(=O)c2ncccc2N)CCOC1
InChIInChI=1S/C12H17N3O3/c1-17-12(4-6-18-8-12)7-15-11(16)10-9(13)3-2-5-14-10/h2-3,5H,4,6-8,13H2,1H3,(H,15,16)
InChIKeyATKASUVCVQNWLF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide

3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 104761387) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID104761387
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
SMILESCOC1(CNC(=O)c2ncccc2N)CCOC1
InChIInChI=1S/C12H17N3O3/c1-17-12(4-6-18-8-12)7-15-11(16)10-9(13)3-2-5-14-10/h2-3,5H,4,6-8,13H2,1H3,(H,15,16)
InChIKeyATKASUVCVQNWLF-UHFFFAOYSA-N
XLogP0.20
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-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-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 2964204
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-2-carboxamide
CID 3239666
N-[(2S)-4-methyl-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]pyridine-2-carboxamide
CID 44302157
tert-butyl N-(2-formylpyridin-3-yl)carbamate
CID 10911130
US11591331, Example 47
CID 167844991
US11591331, Example 48
CID 167844992
N-(5,5-Dimethyl-2-oxooxolan-3-yl)pyridine-2-carboximidic acid
CID 3060083
Picolinamide, N-(2-oxotetrahydro-3-furyl)-
CID 3060084
picolinoyl-Dha-Ser(tBu)-OMe
CID 44400917
Ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate
CID 118739617
1-(5-Fluoropyridine-2-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 124051994
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)picolinamide
CID 71788621

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide (CID 104761387) is 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide is COC1(CNC(=O)c2ncccc2N)CCOC1.
What is the InChIKey of 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ATKASUVCVQNWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-12(4-6-18-8-12)7-15-11(16)10-9(13)3-2-5-14-10/h2-3,5H,4,6-8,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide?
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 104761387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).