N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O3 — CID 136790825

IUPACN-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2nc(O)c(C(=O)NCc3ccccc3)c(=O)n2c1
InChIInChI=1S/C17H15N3O3/c1-11-7-8-13-19-16(22)14(17(23)20(13)10-11)15(21)18-9-12-5-3-2-4-6-12/h2-8,10,22H,9H2,1H3,(H,18,21)
InChIKeyRTRIKHDGSIRIEF-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.64
Rot. Bonds3

About N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136790825) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136790825
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2nc(O)c(C(=O)NCc3ccccc3)c(=O)n2c1
InChIInChI=1S/C17H15N3O3/c1-11-7-8-13-19-16(22)14(17(23)20(13)10-11)15(21)18-9-12-5-3-2-4-6-12/h2-8,10,22H,9H2,1H3,(H,18,21)
InChIKeyRTRIKHDGSIRIEF-UHFFFAOYSA-N
XLogP1.64
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-7-methyl-4-oxo-N-(pyridin-3-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790846
N-[(4-chlorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681007
2-hydroxy-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681057
2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790874
2,6-dimethyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274322
N-benzyl-6-imino-7-(2-methoxyethyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151408
2-hydroxy-N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681072
N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681052
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790854
2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357524
7-methyl-4-oxo-N-phenacyl-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 59392894
2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681014

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 136790825) is N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2nc(O)c(C(=O)NCc3ccccc3)c(=O)n2c1.
What is the InChIKey of N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RTRIKHDGSIRIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-7-8-13-19-16(22)14(17(23)20(13)10-11)15(21)18-9-12-5-3-2-4-6-12/h2-8,10,22H,9H2,1H3,(H,18,21).
What are the key properties of N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxy-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136790825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).