[3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate

C32H37N5O3 — CID 123926799

IUPAC[3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1cccc(-c2cnc3ccc(NC(=O)CCCC(C)CCCc4ccccc4)nc3n2)c1
InChIInChI=1S/C32H37N5O3/c1-3-33-32(39)40-22-25-15-9-16-26(20-25)28-21-34-27-18-19-29(37-31(27)35-28)36-30(38)17-8-11-23(2)10-7-14-24-12-5-4-6-13-24/h4-6,9,12-13,15-16,18-21,23H,3,7-8,10-11,14,17,22H2,1-2H3,(H,33,39)(H,35,36,37,38)
InChIKeyHMNNTAJXCAKFEX-UHFFFAOYSA-N
MW539.68 g/mol
LogP6.71
Rot. Bonds13

About [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate

[3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate (PubChem CID 123926799) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate
PubChem CID123926799
Molecular FormulaC32H37N5O3
Molecular Weight539.68 g/mol
Exact Mass539.29
IUPAC Name[3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1cccc(-c2cnc3ccc(NC(=O)CCCC(C)CCCc4ccccc4)nc3n2)c1
InChIInChI=1S/C32H37N5O3/c1-3-33-32(39)40-22-25-15-9-16-26(20-25)28-21-34-27-18-19-29(37-31(27)35-28)36-30(38)17-8-11-23(2)10-7-14-24-12-5-4-6-13-24/h4-6,9,12-13,15-16,18-21,23H,3,7-8,10-11,14,17,22H2,1-2H3,(H,33,39)(H,35,36,37,38)
InChIKeyHMNNTAJXCAKFEX-UHFFFAOYSA-N
XLogP6.71
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate with MolForge

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Related Compounds

1-[3-[3-(methoxymethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
CID 70854667
1-[3-(3,4-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558871
1-[3-(3-hydroxy-4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(2R)-5-phenylpentan-2-yl]urea
CID 66558186
2-[3-[(2R)-5-phenylpentan-2-yl]aziridin-2-yl]-N-[3-(1H-pyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]acetamide
CID 163932356
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
1-[3-(2-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]-3-(5-phenylpentan-2-yl)urea
CID 70836165
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
N-[4-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]butyl]acetamide
CID 58881889
3-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]hexanoic acid
CID 91559493
N-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-2-[5-methyl-5-(3-phenylpropyl)-1-azaspiro[2.2]pentan-2-yl]acetamide
CID 163711247
1-[3-(3-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
CID 11233010
1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66556954

Frequently Asked Questions

What is the IUPAC name of [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate?
The IUPAC name of [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate (CID 123926799) is [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate.
What is the SMILES notation for [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate?
The canonical SMILES for [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate is CCNC(=O)OCc1cccc(-c2cnc3ccc(NC(=O)CCCC(C)CCCc4ccccc4)nc3n2)c1.
What is the InChIKey of [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate?
The InChIKey is HMNNTAJXCAKFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-3-33-32(39)40-22-25-15-9-16-26(20-25)28-21-34-27-18-19-29(37-31(27)35-28)36-30(38)17-8-11-23(2)10-7-14-24-12-5-4-6-13-24/h4-6,9,12-13,15-16,18-21,23H,3,7-8,10-11,14,17,22H2,1-2H3,(H,33,39)(H,35,36,37,38).
What are the key properties of [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate?
[3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate has a molecular weight of 539.68 g/mol, XLogP of 6.71, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[(5-methyl-8-phenyloctanoyl)amino]pyrido[2,3-b]pyrazin-3-yl]phenyl]methyl N-ethylcarbamate is sourced from PubChem (CID 123926799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).