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

C14H17N3O3 — CID 135681034

IUPAC2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-9(2)6-7-15-12(18)11-13(19)16-10-5-3-4-8-17(10)14(11)20/h3-5,8-9,19H,6-7H2,1-2H3,(H,15,18)
InChIKeyBCRUEOUZDLQDMO-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.18
Rot. Bonds4

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

2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681034) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681034
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CCNC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-9(2)6-7-15-12(18)11-13(19)16-10-5-3-4-8-17(10)14(11)20/h3-5,8-9,19H,6-7H2,1-2H3,(H,15,18)
InChIKeyBCRUEOUZDLQDMO-UHFFFAOYSA-N
XLogP1.18
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681034) is 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CCNC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BCRUEOUZDLQDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)6-7-15-12(18)11-13(19)16-10-5-3-4-8-17(10)14(11)20/h3-5,8-9,19H,6-7H2,1-2H3,(H,15,18).
What are the key properties of 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).