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

C19H19N3O5 — CID 136790876

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)cc1OC
InChIInChI=1S/C19H19N3O5/c1-11-5-4-8-22-16(11)21-18(24)15(19(22)25)17(23)20-10-12-6-7-13(26-2)14(9-12)27-3/h4-9,24H,10H2,1-3H3,(H,20,23)
InChIKeyCDVMCDWOYHQPMT-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.66
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 136790876) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID136790876
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)cc1OC
InChIInChI=1S/C19H19N3O5/c1-11-5-4-8-22-16(11)21-18(24)15(19(22)25)17(23)20-10-12-6-7-13(26-2)14(9-12)27-3/h4-9,24H,10H2,1-3H3,(H,20,23)
InChIKeyCDVMCDWOYHQPMT-UHFFFAOYSA-N
XLogP1.66
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-9-methyl-N-[(3-methylphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790874
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790854
2-hydroxy-N-(2-methoxyethyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135680949
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458507
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458493
2-hydroxy-N-[(2-methoxyphenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681072
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethyl-4-oxothieno[3,2-c]pyridine-3-carboxamide
CID 87051468
6,10-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3600771
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-11-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3330549
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051635
N-[(3,4-dimethoxyphenyl)methyl]-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 54682382

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 136790876) is N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2c(O)nc3c(C)cccn3c2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CDVMCDWOYHQPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-11-5-4-8-22-16(11)21-18(24)15(19(22)25)17(23)20-10-12-6-7-13(26-2)14(9-12)27-3/h4-9,24H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136790876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).