N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O3 — CID 136814042

IUPACN-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1c(O)nc2c(C)cccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-4-9(3)15-12(18)10-13(19)16-11-8(2)6-5-7-17(11)14(10)20/h5-7,9,19H,4H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyTVRHPPBAHCSWFK-VIFPVBQESA-N
MW275.31 g/mol
LogP1.24
Rot. Bonds3

About N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136814042) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136814042
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1c(O)nc2c(C)cccn2c1=O
InChIInChI=1S/C14H17N3O3/c1-4-9(3)15-12(18)10-13(19)16-11-8(2)6-5-7-17(11)14(10)20/h5-7,9,19H,4H2,1-3H3,(H,15,18)/t9-/m0/s1
InChIKeyTVRHPPBAHCSWFK-VIFPVBQESA-N
XLogP1.24
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 136814042) is N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC[C@H](C)NC(=O)c1c(O)nc2c(C)cccn2c1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is TVRHPPBAHCSWFK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-9(3)15-12(18)10-13(19)16-11-8(2)6-5-7-17(11)14(10)20/h5-7,9,19H,4H2,1-3H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136814042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).