4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C12H17N3O2 — CID 81236449

IUPAC4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCC2CCCO2)cn1
InChIInChI=1S/C12H17N3O2/c1-8-5-11(13)10(7-14-8)12(16)15-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyODRHOUUMOSSIFL-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.88
Rot. Bonds3

About 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 81236449) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID81236449
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)NCC2CCCO2)cn1
InChIInChI=1S/C12H17N3O2/c1-8-5-11(13)10(7-14-8)12(16)15-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H2,13,14)(H,15,16)
InChIKeyODRHOUUMOSSIFL-UHFFFAOYSA-N
XLogP0.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 81236449) is 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1cc(N)c(C(=O)NCC2CCCO2)cn1.
What is the InChIKey of 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ODRHOUUMOSSIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-11(13)10(7-14-8)12(16)15-6-9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81236449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).