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

C13H19N3O2 — CID 81315949

IUPAC5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C13H19N3O2/c1-16(8-10-3-2-6-18-9-10)13(17)12-5-4-11(14)7-15-12/h4-5,7,10H,2-3,6,8-9,14H2,1H3
InChIKeyHZAPSSLXMAJDOG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.16
Rot. Bonds3

About 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide

5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 81315949) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
PubChem CID81315949
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(N)cn1
InChIInChI=1S/C13H19N3O2/c1-16(8-10-3-2-6-18-9-10)13(17)12-5-4-11(14)7-15-12/h4-5,7,10H,2-3,6,8-9,14H2,1H3
InChIKeyHZAPSSLXMAJDOG-UHFFFAOYSA-N
XLogP1.16
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(methylamino)-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 104641380
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63706871
4-amino-N,6-dimethyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81241215
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 105386353
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 80555110
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide (CID 81315949) is 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide is CN(CC1CCCOC1)C(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HZAPSSLXMAJDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(8-10-3-2-6-18-9-10)13(17)12-5-4-11(14)7-15-12/h4-5,7,10H,2-3,6,8-9,14H2,1H3.
What are the key properties of 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide?
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 81315949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).