3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide

C22H27N5O2 — CID 118618107

IUPAC3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Nc2cc3c(cn2)NC(=O)C(C)N3C2CCCC2)c1
InChIInChI=1S/C22H27N5O2/c1-3-23-22(29)15-7-6-8-16(11-15)25-20-12-19-18(13-24-20)26-21(28)14(2)27(19)17-9-4-5-10-17/h6-8,11-14,17H,3-5,9-10H2,1-2H3,(H,23,29)(H,24,25)(H,26,28)
InChIKeyLTZCZHWRBPLDFT-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.66
Rot. Bonds5

About 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide

3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide (PubChem CID 118618107) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide
PubChem CID118618107
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Nc2cc3c(cn2)NC(=O)C(C)N3C2CCCC2)c1
InChIInChI=1S/C22H27N5O2/c1-3-23-22(29)15-7-6-8-16(11-15)25-20-12-19-18(13-24-20)26-21(28)14(2)27(19)17-9-4-5-10-17/h6-8,11-14,17H,3-5,9-10H2,1-2H3,(H,23,29)(H,24,25)(H,26,28)
InChIKeyLTZCZHWRBPLDFT-UHFFFAOYSA-N
XLogP3.66
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide 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 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide?
The IUPAC name of 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide (CID 118618107) is 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide?
The canonical SMILES for 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide is CCNC(=O)c1cccc(Nc2cc3c(cn2)NC(=O)C(C)N3C2CCCC2)c1.
What is the InChIKey of 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide?
The InChIKey is LTZCZHWRBPLDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-23-22(29)15-7-6-8-16(11-15)25-20-12-19-18(13-24-20)26-21(28)14(2)27(19)17-9-4-5-10-17/h6-8,11-14,17H,3-5,9-10H2,1-2H3,(H,23,29)(H,24,25)(H,26,28).
What are the key properties of 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide?
3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide has a molecular weight of 393.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyl-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-7-yl)amino]-N-ethylbenzamide is sourced from PubChem (CID 118618107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).