ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H21N3O3 — CID 145092548

IUPACethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC.CC.Cc1ccn2c(=O)c(C(N)=O)cnc2c1O
InChIInChI=1S/C10H9N3O3.2C2H6/c1-5-2-3-13-9(7(5)14)12-4-6(8(11)15)10(13)16;2*1-2/h2-4,14H,1H3,(H2,11,15);2*1-2H3
InChIKeyYVKGTBLNXAGIJH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.86
Rot. Bonds1

About ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 145092548) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Nameethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID145092548
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC.CC.Cc1ccn2c(=O)c(C(N)=O)cnc2c1O
InChIInChI=1S/C10H9N3O3.2C2H6/c1-5-2-3-13-9(7(5)14)12-4-6(8(11)15)10(13)16;2*1-2/h2-4,14H,1H3,(H2,11,15);2*1-2H3
InChIKeyYVKGTBLNXAGIJH-UHFFFAOYSA-N
XLogP1.86
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 121384978
3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 130433396
3-(4-aminophenyl)-9-hydroxy-8-iodopyrido[1,2-a]pyrimidin-4-one
CID 89049731
N-cyclohexyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384967
N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 121384970
7-methyl-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylic acid
CID 13386488
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
2-hydroxy-3,6-dimethylbenzamide
CID 82266966
9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115025656
4-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 118593207
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 2800874
8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
CID 145092540

Frequently Asked Questions

What is the IUPAC name of ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 145092548) is ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC.CC.Cc1ccn2c(=O)c(C(N)=O)cnc2c1O.
What is the InChIKey of ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YVKGTBLNXAGIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3.2C2H6/c1-5-2-3-13-9(7(5)14)12-4-6(8(11)15)10(13)16;2*1-2/h2-4,14H,1H3,(H2,11,15);2*1-2H3.
What are the key properties of ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145092548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).