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

C13H15N5O3 — CID 71449589

IUPACN-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N5O3/c1-9(19)14-5-6-15-13(21)17-10-8-16-11-4-2-3-7-18(11)12(10)20/h2-4,7-8H,5-6H2,1H3,(H,14,19)(H2,15,17,21)
InChIKeyZVFPADXXOQMNGQ-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.05
Rot. Bonds4

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

N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide (PubChem CID 71449589) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
PubChem CID71449589
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N5O3/c1-9(19)14-5-6-15-13(21)17-10-8-16-11-4-2-3-7-18(11)12(10)20/h2-4,7-8H,5-6H2,1H3,(H,14,19)(H2,15,17,21)
InChIKeyZVFPADXXOQMNGQ-UHFFFAOYSA-N
XLogP-0.05
TPSA104.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-piperazinyl)-4H-pyrido(1,2-a)pyrimidin-4-one
CID 388268
1-(2-Methoxyethyl)-3-(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 71449592
1-(2-Methoxyethyl)-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 71449588
N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71462106
1-(7-Chloro-4-oxo-pyrido[1,2-a]pyrimidin-3-yl)-3-(2-methoxyethyl)urea
CID 90670929
(2S)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]pentanamide
CID 90670938
1-[(1S)-1-cyano-3-methyl-butyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 90670940
3-Amino-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3514055
3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1359737
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)isobutyramide
CID 18566117
1-{4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 23607564
1-Cyclopentyl-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 23607566

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide (CID 71449589) is N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1cnc2ccccn2c1=O.
What is the InChIKey of N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide?
The InChIKey is ZVFPADXXOQMNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9(19)14-5-6-15-13(21)17-10-8-16-11-4-2-3-7-18(11)12(10)20/h2-4,7-8H,5-6H2,1H3,(H,14,19)(H2,15,17,21).
What are the key properties of N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide?
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide has a molecular weight of 289.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 71449589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).