N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O3 — CID 4151354

IUPACN-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc3cc(C)ccn3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-3-24-14-6-4-13(5-7-14)20-17(22)15-11-19-16-10-12(2)8-9-21(16)18(15)23/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeySGRPDCHXZFQJCB-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.65
Rot. Bonds4

About N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4151354) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4151354
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc3cc(C)ccn3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-3-24-14-6-4-13(5-7-14)20-17(22)15-11-19-16-10-12(2)8-9-21(16)18(15)23/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeySGRPDCHXZFQJCB-UHFFFAOYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60573346
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119505266
N-[5-chloro-2-(4-methylphenoxy)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60551038
8-methyl-N-[2-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 120829490
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372
1-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598610
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60552604
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
8-methyl-4-oxo-N'-(2,4,6-trichlorophenyl)pyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 60548231
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 4151354) is N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCOc1ccc(NC(=O)c2cnc3cc(C)ccn3c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SGRPDCHXZFQJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-14-6-4-13(5-7-14)20-17(22)15-11-19-16-10-12(2)8-9-21(16)18(15)23/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4151354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).