3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide

C12H17N3O2 — CID 105068747

IUPAC3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC1CCOCC1
InChIInChI=1S/C12H17N3O2/c1-13-11-8-14-5-2-10(11)12(16)15-9-3-6-17-7-4-9/h2,5,8-9,13H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyHKZDSEOTBNCHLS-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.03
Rot. Bonds3

About 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide

3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide (PubChem CID 105068747) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
PubChem CID105068747
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC1CCOCC1
InChIInChI=1S/C12H17N3O2/c1-13-11-8-14-5-2-10(11)12(16)15-9-3-6-17-7-4-9/h2,5,8-9,13H,3-4,6-7H2,1H3,(H,15,16)
InChIKeyHKZDSEOTBNCHLS-UHFFFAOYSA-N
XLogP1.03
TPSA63.25 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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(methylamino)pyridine-4-carboxamide
CID 105068162
N-(4-ethylcyclohexyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069028
3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064751
4-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 81242575
5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 55046977
3-(methylamino)-N-(2-methylcycloheptyl)pyridine-4-carboxamide
CID 105070514
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
3-(methylamino)-N-(2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 105070917
N-(dicyclopropylmethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069656
3-hydrazinyl-N-(oxan-3-yl)pyridine-4-carboxamide
CID 105072165
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide (CID 105068747) is 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide is CNc1cnccc1C(=O)NC1CCOCC1.
What is the InChIKey of 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide?
The InChIKey is HKZDSEOTBNCHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-11-8-14-5-2-10(11)12(16)15-9-3-6-17-7-4-9/h2,5,8-9,13H,3-4,6-7H2,1H3,(H,15,16).
What are the key properties of 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide?
3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105068747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).