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

C14H17N3O3 — CID 79252263

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-9(2)11(8-18)16-13(19)10-7-15-12-5-3-4-6-17(12)14(10)20/h3-7,9,11,18H,8H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyRXHWBNKMPCZSLK-LLVKDONJSA-N
MW275.31 g/mol
LogP0.44
Rot. Bonds4

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

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 79252263) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID79252263
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-9(2)11(8-18)16-13(19)10-7-15-12-5-3-4-6-17(12)14(10)20/h3-7,9,11,18H,8H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyRXHWBNKMPCZSLK-LLVKDONJSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 79252263) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RXHWBNKMPCZSLK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)11(8-18)16-13(19)10-7-15-12-5-3-4-6-17(12)14(10)20/h3-7,9,11,18H,8H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 79252263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).