6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide

C12H17N3O3 — CID 86285322

IUPAC6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1COCCO1)C(=O)c1cccc(N)n1
InChIInChI=1S/C12H17N3O3/c1-15(7-9-8-17-5-6-18-9)12(16)10-3-2-4-11(13)14-10/h2-4,9H,5-8H2,1H3,(H2,13,14)
InChIKeyKRAMFLYVULINHP-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.15
Rot. Bonds3

About 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide

6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 86285322) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID86285322
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1COCCO1)C(=O)c1cccc(N)n1
InChIInChI=1S/C12H17N3O3/c1-15(7-9-8-17-5-6-18-9)12(16)10-3-2-4-11(13)14-10/h2-4,9H,5-8H2,1H3,(H2,13,14)
InChIKeyKRAMFLYVULINHP-UHFFFAOYSA-N
XLogP0.15
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-N-methylbenzamide
CID 86287110
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 29115615
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95209994
1,4-dioxan-2-ylmethyl(methyl)carbamic acid
CID 68851137
3-amino-4-chloro-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 99976360
N-(1,4-dioxan-2-ylmethyl)-N-methyl-3,3-diphenylpropanamide
CID 86286846
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25278674
3-chloro-N-[[(2S)-1,4-dioxan-2-yl]methyl]-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 97150380
6-N-(1,4-dioxan-2-ylmethyl)pyridine-2,6-diamine
CID 80647845
6-amino-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methylpyridine-2-carboxamide
CID 134127828
3-(3-acetylphenyl)-1-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylurea
CID 125176934

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide (CID 86285322) is 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide is CN(CC1COCCO1)C(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is KRAMFLYVULINHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(7-9-8-17-5-6-18-9)12(16)10-3-2-4-11(13)14-10/h2-4,9H,5-8H2,1H3,(H2,13,14).
What are the key properties of 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide?
6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,4-dioxan-2-ylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 86285322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).