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'}

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Related Compounds

4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butylphosphonic acid
CID 16727365
1-(4-morpholin-4-ylbutyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 58881850
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66558948
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730273
N-methyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide
CID 58881960
3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid
CID 91559493
1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66556954
1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 118328024
(2S)-3-[4-(6-acetamidopyrido[2,3-b]pyrazin-3-yl)phenyl]-2-aminopropanoic acid
CID 70854683
1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[4-(5-methylcyclohexa-1,3-dien-1-yl)butyl]urea
CID 163875665

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).