2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide

C15H22N4O3 — CID 91839967

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCN1CCCOC1=O)Cc1ccncc1
InChIInChI=1S/C15H22N4O3/c1-18(11-13-3-5-16-6-4-13)12-14(20)17-7-9-19-8-2-10-22-15(19)21/h3-6H,2,7-12H2,1H3,(H,17,20)
InChIKeySGOWNSXVZUWMMQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.47
Rot. Bonds7

About 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide

2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide (PubChem CID 91839967) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
PubChem CID91839967
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCN1CCCOC1=O)Cc1ccncc1
InChIInChI=1S/C15H22N4O3/c1-18(11-13-3-5-16-6-4-13)12-14(20)17-7-9-19-8-2-10-22-15(19)21/h3-6H,2,7-12H2,1H3,(H,17,20)
InChIKeySGOWNSXVZUWMMQ-UHFFFAOYSA-N
XLogP0.47
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-hydroxycyclopentyl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91835522
2-(2-oxo-1,3-oxazinan-3-yl)ethylcarbamic acid
CID 139512327
N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 90651083
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113163762
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91772553
2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87013297
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91776968
3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
CID 91839928
3-(4-ethylphenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]propanamide
CID 110707230
2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131898446
1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 77090071
N-[(1S,5S,6R,7R)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91797452

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide (CID 91839967) is 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide is CN(CC(=O)NCCN1CCCOC1=O)Cc1ccncc1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide?
The InChIKey is SGOWNSXVZUWMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-18(11-13-3-5-16-6-4-13)12-14(20)17-7-9-19-8-2-10-22-15(19)21/h3-6H,2,7-12H2,1H3,(H,17,20).
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide?
2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide is sourced from PubChem (CID 91839967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).