N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide

C14H20N2O2 — CID 110852657

IUPACN-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CCCOC1
InChIInChI=1S/C14H20N2O2/c1-16(9-6-12-4-7-15-8-5-12)14(17)13-3-2-10-18-11-13/h4-5,7-8,13H,2-3,6,9-11H2,1H3
InChIKeyWMXMAFAHBBWFMP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide

N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide (PubChem CID 110852657) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
PubChem CID110852657
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CCCOC1
InChIInChI=1S/C14H20N2O2/c1-16(9-6-12-4-7-15-8-5-12)14(17)13-3-2-10-18-11-13/h4-5,7-8,13H,2-3,6,9-11H2,1H3
InChIKeyWMXMAFAHBBWFMP-UHFFFAOYSA-N
XLogP1.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
CID 110852600
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687831
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 109146245
2-amino-N-methyl-2-(oxan-4-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 120801738
N-(2-aminoethyl)-N-(2-phenylethyl)oxane-3-carboxamide;hydrochloride
CID 120884901
N-[[3-(aminomethyl)phenyl]methyl]-N-methyloxane-3-carboxamide
CID 55149191
N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 72671555
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082
3-cyclopropyl-1-methyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507582

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide (CID 110852657) is N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide is CN(CCc1ccncc1)C(=O)C1CCCOC1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide?
The InChIKey is WMXMAFAHBBWFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(9-6-12-4-7-15-8-5-12)14(17)13-3-2-10-18-11-13/h4-5,7-8,13H,2-3,6,9-11H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide is sourced from PubChem (CID 110852657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).