1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea

C18H18N6O2S — CID 87655567

IUPAC1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
SMILESCCNC(=O)N(S)c1ccc2ncc(Nc3cccc(C(C)=O)c3)nc2n1
InChIInChI=1S/C18H18N6O2S/c1-3-19-18(26)24(27)16-8-7-14-17(23-16)22-15(10-20-14)21-13-6-4-5-12(9-13)11(2)25/h4-10,27H,3H2,1-2H3,(H,19,26)(H,21,22,23)
InChIKeyZRRDYMUBZKKALW-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.35
Rot. Bonds5

About 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea

1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea (PubChem CID 87655567) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea.

Molecular Properties

Compound Name1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
PubChem CID87655567
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
SMILESCCNC(=O)N(S)c1ccc2ncc(Nc3cccc(C(C)=O)c3)nc2n1
InChIInChI=1S/C18H18N6O2S/c1-3-19-18(26)24(27)16-8-7-14-17(23-16)22-15(10-20-14)21-13-6-4-5-12(9-13)11(2)25/h4-10,27H,3H2,1-2H3,(H,19,26)(H,21,22,23)
InChIKeyZRRDYMUBZKKALW-UHFFFAOYSA-N
XLogP3.35
TPSA100.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87654657
3-ethyl-1-[3-(4-phenylanilino)pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 87656267
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 25151707
5-(3-acetylanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286799
2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid
CID 25153536
4-[6-[ethylcarbamoyl(sulfanyl)amino]pyrido[2,3-b]pyrazin-3-yl]pyrazole-1-carboxylic acid
CID 123859355
2-[3-[[3-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-6-yl]amino]phenyl]acetic acid
CID 25152091
1-ethyl-3-[3-(pyridin-3-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881916
1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881935
6-(3-acetylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355386
6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849535
1-[3-[[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112967626

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The IUPAC name of 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea (CID 87655567) is 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea.
What is the SMILES notation for 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The canonical SMILES for 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea is CCNC(=O)N(S)c1ccc2ncc(Nc3cccc(C(C)=O)c3)nc2n1.
What is the InChIKey of 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
The InChIKey is ZRRDYMUBZKKALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-3-19-18(26)24(27)16-8-7-14-17(23-16)22-15(10-20-14)21-13-6-4-5-12(9-13)11(2)25/h4-10,27H,3H2,1-2H3,(H,19,26)(H,21,22,23).
What are the key properties of 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea?
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea has a molecular weight of 382.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea is sourced from PubChem (CID 87655567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).