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

C20H21N3O4 — CID 108800948

IUPACpropan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C2(C)CC(=O)N=C3C=CC=CN32)cc1
InChIInChI=1S/C20H21N3O4/c1-13(2)27-18(25)14-7-9-15(10-8-14)21-19(26)20(3)12-17(24)22-16-6-4-5-11-23(16)20/h4-11,13H,12H2,1-3H3,(H,21,26)
InChIKeyXQHFOBGRVARHMV-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.66
Rot. Bonds4

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

propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate (PubChem CID 108800948) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
PubChem CID108800948
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namepropan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)C2(C)CC(=O)N=C3C=CC=CN32)cc1
InChIInChI=1S/C20H21N3O4/c1-13(2)27-18(25)14-7-9-15(10-8-14)21-19(26)20(3)12-17(24)22-16-6-4-5-11-23(16)20/h4-11,13H,12H2,1-3H3,(H,21,26)
InChIKeyXQHFOBGRVARHMV-UHFFFAOYSA-N
XLogP2.66
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate (CID 108800948) is propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)C2(C)CC(=O)N=C3C=CC=CN32)cc1.
What is the InChIKey of propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate?
The InChIKey is XQHFOBGRVARHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(2)27-18(25)14-7-9-15(10-8-14)21-19(26)20(3)12-17(24)22-16-6-4-5-11-23(16)20/h4-11,13H,12H2,1-3H3,(H,21,26).
What are the key properties of propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate?
propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate has a molecular weight of 367.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 108800948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).