N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H27N5O4 — CID 170506946

IUPACN-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H27N5O4/c1-24-15(12-19(27)25-8-10-30-11-9-25)5-6-16(24)13-23-20(28)17-14-22-18-4-2-3-7-26(18)21(17)29/h2-4,7,14-16H,5-6,8-13H2,1H3,(H,23,28)/t15-,16+/m1/s1
InChIKeyCRHFDZTXPUPEMU-CVEARBPZSA-N
MW413.48 g/mol
LogP0.14
Rot. Bonds5

About N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 170506946) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID170506946
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC NameN-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H27N5O4/c1-24-15(12-19(27)25-8-10-30-11-9-25)5-6-16(24)13-23-20(28)17-14-22-18-4-2-3-7-26(18)21(17)29/h2-4,7,14-16H,5-6,8-13H2,1H3,(H,23,28)/t15-,16+/m1/s1
InChIKeyCRHFDZTXPUPEMU-CVEARBPZSA-N
XLogP0.14
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide 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 N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 170506946) is N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is CRHFDZTXPUPEMU-CVEARBPZSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-24-15(12-19(27)25-8-10-30-11-9-25)5-6-16(24)13-23-20(28)17-14-22-18-4-2-3-7-26(18)21(17)29/h2-4,7,14-16H,5-6,8-13H2,1H3,(H,23,28)/t15-,16+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170506946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).