N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide

C20H22N6O2 — CID 58881889

IUPACN-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
SMILESCC(=O)NCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H22N6O2/c1-14(27)21-11-5-6-12-22-20(28)26-18-10-9-16-19(25-18)24-17(13-23-16)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,27)(H2,22,24,25,26,28)
InChIKeyXOAODDWWJRZDFO-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.73
Rot. Bonds7

About N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide

N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide (PubChem CID 58881889) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
PubChem CID58881889
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
SMILESCC(=O)NCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H22N6O2/c1-14(27)21-11-5-6-12-22-20(28)26-18-10-9-16-19(25-18)24-17(13-23-16)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,27)(H2,22,24,25,26,28)
InChIKeyXOAODDWWJRZDFO-UHFFFAOYSA-N
XLogP2.73
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide 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-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide?
The IUPAC name of N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide (CID 58881889) is N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide.
What is the SMILES notation for N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide?
The canonical SMILES for N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide is CC(=O)NCCCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide?
The InChIKey is XOAODDWWJRZDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14(27)21-11-5-6-12-22-20(28)26-18-10-9-16-19(25-18)24-17(13-23-16)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,21,27)(H2,22,24,25,26,28).
What are the key properties of N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide?
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide is sourced from PubChem (CID 58881889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).