[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid

C23H21N5O3 — CID 57376679

IUPAC[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc(NC(c2ccccc2)c2ccccc2)c2[nH]c(=O)cnc2n1
InChIInChI=1S/C23H21N5O3/c1-2-28(23(30)31)18-13-17(21-22(26-18)24-14-19(29)27-21)25-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,2H2,1H3,(H,27,29)(H,30,31)(H,24,25,26)
InChIKeyQQJNJKUROCIFML-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.02
Rot. Bonds6

About [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid

[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid (PubChem CID 57376679) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid.

Molecular Properties

Compound Name[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid
PubChem CID57376679
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc(NC(c2ccccc2)c2ccccc2)c2[nH]c(=O)cnc2n1
InChIInChI=1S/C23H21N5O3/c1-2-28(23(30)31)18-13-17(21-22(26-18)24-14-19(29)27-21)25-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,2H2,1H3,(H,27,29)(H,30,31)(H,24,25,26)
InChIKeyQQJNJKUROCIFML-UHFFFAOYSA-N
XLogP4.02
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid 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 [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid?
The IUPAC name of [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid (CID 57376679) is [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid.
What is the SMILES notation for [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid?
The canonical SMILES for [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid is CCN(C(=O)O)c1cc(NC(c2ccccc2)c2ccccc2)c2[nH]c(=O)cnc2n1.
What is the InChIKey of [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid?
The InChIKey is QQJNJKUROCIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-2-28(23(30)31)18-13-17(21-22(26-18)24-14-19(29)27-21)25-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,2H2,1H3,(H,27,29)(H,30,31)(H,24,25,26).
What are the key properties of [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid?
[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid has a molecular weight of 415.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid is sourced from PubChem (CID 57376679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).