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

C12H17N3O2 — CID 70099626

IUPAC3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1N)C1CCOCC1
InChIInChI=1S/C12H17N3O2/c1-15(9-4-7-17-8-5-9)12(16)11-10(13)3-2-6-14-11/h2-3,6,9H,4-5,7-8,13H2,1H3
InChIKeyUZGFQPNNNYPEBG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.91
Rot. Bonds2

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

3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 70099626) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID70099626
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1N)C1CCOCC1
InChIInChI=1S/C12H17N3O2/c1-15(9-4-7-17-8-5-9)12(16)11-10(13)3-2-6-14-11/h2-3,6,9H,4-5,7-8,13H2,1H3
InChIKeyUZGFQPNNNYPEBG-UHFFFAOYSA-N
XLogP0.91
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 82733799
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515
2-[(3-aminopyridine-2-carbonyl)-methylamino]acetic acid
CID 112704117
2-[cyclopentyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614404
6-amino-N-methyl-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 62154308
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide (CID 70099626) is 3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide is CN(C(=O)c1ncccc1N)C1CCOCC1.
What is the InChIKey of 3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is UZGFQPNNNYPEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(9-4-7-17-8-5-9)12(16)11-10(13)3-2-6-14-11/h2-3,6,9H,4-5,7-8,13H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.91, 2 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-yl)pyridine-2-carboxamide is sourced from PubChem (CID 70099626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).