N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

C12H16N2O2 — CID 110733149

IUPACN-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1ccncc1
InChIInChI=1S/C12H16N2O2/c1-14(9-11-3-2-8-16-11)12(15)10-4-6-13-7-5-10/h4-7,11H,2-3,8-9H2,1H3
InChIKeyWTISSJPKBGDJRZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.33
Rot. Bonds3

About N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide

N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 110733149) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID110733149
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCO1)C(=O)c1ccncc1
InChIInChI=1S/C12H16N2O2/c1-14(9-11-3-2-8-16-11)12(15)10-4-6-13-7-5-10/h4-7,11H,2-3,8-9H2,1H3
InChIKeyWTISSJPKBGDJRZ-UHFFFAOYSA-N
XLogP1.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 127943943
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
3-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105069188
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide (CID 110733149) is N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is CN(CC1CCCO1)C(=O)c1ccncc1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WTISSJPKBGDJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(9-11-3-2-8-16-11)12(15)10-4-6-13-7-5-10/h4-7,11H,2-3,8-9H2,1H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide?
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 110733149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).