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

C13H15N3O3 — CID 65031816

IUPACN-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(CO)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-9(8-17)6-15-12(18)10-7-14-11-4-2-3-5-16(11)13(10)19/h2-5,7,9,17H,6,8H2,1H3,(H,15,18)
InChIKeyGJNSQDUYOPRURN-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.05
Rot. Bonds4

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

N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 65031816) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID65031816
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(CO)CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-9(8-17)6-15-12(18)10-7-14-11-4-2-3-5-16(11)13(10)19/h2-5,7,9,17H,6,8H2,1H3,(H,15,18)
InChIKeyGJNSQDUYOPRURN-UHFFFAOYSA-N
XLogP0.05
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 65031816) is N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(CO)CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GJNSQDUYOPRURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(8-17)6-15-12(18)10-7-14-11-4-2-3-5-16(11)13(10)19/h2-5,7,9,17H,6,8H2,1H3,(H,15,18).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 65031816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).