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

C13H15N3O3 — CID 115410125

IUPACN-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CONC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-9(2)8-19-15-12(17)10-7-14-11-5-3-4-6-16(11)13(10)18/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyCARYWTXRVPNBSX-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.01
Rot. Bonds4

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

N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 115410125) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID115410125
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CONC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-9(2)8-19-15-12(17)10-7-14-11-5-3-4-6-16(11)13(10)18/h3-7,9H,8H2,1-2H3,(H,15,17)
InChIKeyCARYWTXRVPNBSX-UHFFFAOYSA-N
XLogP1.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate
CID 99802657
N-(1-amino-2,3-dimethylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119608872
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111480033
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60555535
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 115410125) is N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CONC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CARYWTXRVPNBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(2)8-19-15-12(17)10-7-14-11-5-3-4-6-16(11)13(10)18/h3-7,9H,8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 115410125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).