N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C13H15N3O3 — CID 62333488

IUPACN-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-9(17)8-15(2)12(18)10-7-14-11-5-3-4-6-16(11)13(10)19/h3-7,9,17H,8H2,1-2H3
InChIKeyYLEYTDMXFIFVFU-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.15
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 62333488) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID62333488
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-9(17)8-15(2)12(18)10-7-14-11-5-3-4-6-16(11)13(10)19/h3-7,9,17H,8H2,1-2H3
InChIKeyYLEYTDMXFIFVFU-UHFFFAOYSA-N
XLogP0.15
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681038
2-hydroxy-N-(2-hydroxyethyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680951
2-hydroxy-N-(2-hydroxyethyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680994
2-hydroxy-N-[(2S)-2-hydroxypropyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136814052
4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103723227
N-(3,3-difluoro-2-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103769671
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
3-Hydroxy-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one
CID 423944
N-(2-methoxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627023
2-hydroxy-N-(2-hydroxypropyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680953
2-hydroxy-N-(2-hydroxypropyl)-8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680996
2-hydroxy-N-(2-hydroxypropyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681040

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 62333488) is N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(O)CN(C)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YLEYTDMXFIFVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(17)8-15(2)12(18)10-7-14-11-5-3-4-6-16(11)13(10)19/h3-7,9,17H,8H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 62333488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).