methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate

C16H19N3O3 — CID 60597171

IUPACmethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C16H19N3O3/c1-11-5-3-8-19-14(20)9-12(17-15(11)19)10-18-7-4-6-13(18)16(21)22-2/h3,5,8-9,13H,4,6-7,10H2,1-2H3
InChIKeyZJNDJHVLIRBMQP-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.14
Rot. Bonds3

About methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate

methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 60597171) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID60597171
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C16H19N3O3/c1-11-5-3-8-19-14(20)9-12(17-15(11)19)10-18-7-4-6-13(18)16(21)22-2/h3,5,8-9,13H,4,6-7,10H2,1-2H3
InChIKeyZJNDJHVLIRBMQP-UHFFFAOYSA-N
XLogP1.14
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate (CID 60597171) is methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1Cc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is ZJNDJHVLIRBMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-5-3-8-19-14(20)9-12(17-15(11)19)10-18-7-4-6-13(18)16(21)22-2/h3,5,8-9,13H,4,6-7,10H2,1-2H3.
What are the key properties of methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate?
methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 60597171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).