N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide

C12H14N4O3 — CID 44782669

IUPACN-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
SMILESO=C(CNc1cnc2ccccn2c1=O)NCCO
InChIInChI=1S/C12H14N4O3/c17-6-4-13-11(18)8-14-9-7-15-10-3-1-2-5-16(10)12(9)19/h1-3,5,7,14,17H,4,6,8H2,(H,13,18)
InChIKeyHMFVXUYZNRVENO-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.79
Rot. Bonds5

About N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide

N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide (PubChem CID 44782669) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
PubChem CID44782669
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
SMILESO=C(CNc1cnc2ccccn2c1=O)NCCO
InChIInChI=1S/C12H14N4O3/c17-6-4-13-11(18)8-14-9-7-15-10-3-1-2-5-16(10)12(9)19/h1-3,5,7,14,17H,4,6,8H2,(H,13,18)
InChIKeyHMFVXUYZNRVENO-UHFFFAOYSA-N
XLogP-0.79
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide
CID 44782977
3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 175899579
1-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 44782736
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6457996
1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 71462105
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)pyrazine-2-carboxamide
CID 15372135
3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 44782803
1-cyclohexyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 44782767
N-(3-chlorophenyl)-4-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetyl]piperazine-1-carboxamide
CID 44782815
3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
CID 155910541

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide (CID 44782669) is N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide is O=C(CNc1cnc2ccccn2c1=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide?
The InChIKey is HMFVXUYZNRVENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-6-4-13-11(18)8-14-9-7-15-10-3-1-2-5-16(10)12(9)19/h1-3,5,7,14,17H,4,6,8H2,(H,13,18).
What are the key properties of N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide?
N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide has a molecular weight of 262.27 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide is sourced from PubChem (CID 44782669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).