ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate

C19H19N3O4 — CID 108800911

IUPACethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2(C)CC(=O)N=C3C=CC=CN32)c1
InChIInChI=1S/C19H19N3O4/c1-3-26-17(24)13-7-6-8-14(11-13)20-18(25)19(2)12-16(23)21-15-9-4-5-10-22(15)19/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKeyPUXKYPOUAGMOOX-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.27
Rot. Bonds4

About ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate

ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate (PubChem CID 108800911) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
PubChem CID108800911
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Nameethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2(C)CC(=O)N=C3C=CC=CN32)c1
InChIInChI=1S/C19H19N3O4/c1-3-26-17(24)13-7-6-8-14(11-13)20-18(25)19(2)12-16(23)21-15-9-4-5-10-22(15)19/h4-11H,3,12H2,1-2H3,(H,20,25)
InChIKeyPUXKYPOUAGMOOX-UHFFFAOYSA-N
XLogP2.27
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate with MolForge

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Related Compounds

(4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 7344180
ethyl (4R)-6-[(3-acetamidobenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41251002
ethyl 3-acetamidobenzoate
CID 700589
ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 4162614
4-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800928
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801048
ethyl 3-[(1-cyanocyclohexanecarbonyl)amino]benzoate
CID 60584377
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-(3-oxobutanoylamino)benzoate
CID 18072873
4-(3-ethoxycarbonylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991542
ethyl 3-[(2-carbamoylcyclohexene-1-carbonyl)amino]benzoate
CID 13307424

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate (CID 108800911) is ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)C2(C)CC(=O)N=C3C=CC=CN32)c1.
What is the InChIKey of ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate?
The InChIKey is PUXKYPOUAGMOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-26-17(24)13-7-6-8-14(11-13)20-18(25)19(2)12-16(23)21-15-9-4-5-10-22(15)19/h4-11H,3,12H2,1-2H3,(H,20,25).
What are the key properties of ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate?
ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate has a molecular weight of 353.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 108800911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).