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

C13H19N3O2 — CID 104742327

IUPAC3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ncccc1N
InChIInChI=1S/C13H19N3O2/c1-16(9-10-4-7-18-8-5-10)13(17)12-11(14)3-2-6-15-12/h2-3,6,10H,4-5,7-9,14H2,1H3
InChIKeyXVSDSVAMFKVNDM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.16
Rot. Bonds3

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

3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 104742327) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID104742327
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ncccc1N
InChIInChI=1S/C13H19N3O2/c1-16(9-10-4-7-18-8-5-10)13(17)12-11(14)3-2-6-15-12/h2-3,6,10H,4-5,7-9,14H2,1H3
InChIKeyXVSDSVAMFKVNDM-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

3-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-2-carboxamide
CID 104742495
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63706966
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 55228397
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 99859349
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 104742327) is 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is CN(CC1CCOCC1)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XVSDSVAMFKVNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(9-10-4-7-18-8-5-10)13(17)12-11(14)3-2-6-15-12/h2-3,6,10H,4-5,7-9,14H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
3-amino-N-methyl-N-(oxan-4-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 3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104742327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).