methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate

C20H19N3O4 — CID 42937719

IUPACmethyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(C)cc1
InChIInChI=1S/C20H19N3O4/c1-13-6-8-14(9-7-13)16(11-18(24)27-2)22-19(25)15-12-21-17-5-3-4-10-23(17)20(15)26/h3-10,12,16H,11H2,1-2H3,(H,22,25)
InChIKeyOSPQNISVVXZYJR-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.04
Rot. Bonds5

About methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate

methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate (PubChem CID 42937719) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
PubChem CID42937719
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(C)cc1
InChIInChI=1S/C20H19N3O4/c1-13-6-8-14(9-7-13)16(11-18(24)27-2)22-19(25)15-12-21-17-5-3-4-10-23(17)20(15)26/h3-10,12,16H,11H2,1-2H3,(H,22,25)
InChIKeyOSPQNISVVXZYJR-UHFFFAOYSA-N
XLogP2.04
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 92863564
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
N-(1-naphthalen-2-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614690
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
4-oxo-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 94812869
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99928409

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate (CID 42937719) is methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate is COC(=O)CC(NC(=O)c1cnc2ccccn2c1=O)c1ccc(C)cc1.
What is the InChIKey of methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate?
The InChIKey is OSPQNISVVXZYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-6-8-14(9-7-13)16(11-18(24)27-2)22-19(25)15-12-21-17-5-3-4-10-23(17)20(15)26/h3-10,12,16H,11H2,1-2H3,(H,22,25).
What are the key properties of methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate?
methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate has a molecular weight of 365.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylphenyl)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 42937719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).