1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea

C17H18N6O2 — CID 58881819

IUPAC1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)cc3)nc2n1
InChIInChI=1S/C17H18N6O2/c1-3-18-17(24)23-14-9-8-13-16(21-14)22-15(10-19-13)20-11-4-6-12(25-2)7-5-11/h4-10H,3H2,1-2H3,(H3,18,20,21,22,23,24)
InChIKeyJPLMDPDGRQRZLI-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.92
Rot. Bonds5

About 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea

1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 58881819) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID58881819
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)cc3)nc2n1
InChIInChI=1S/C17H18N6O2/c1-3-18-17(24)23-14-9-8-13-16(21-14)22-15(10-19-13)20-11-4-6-12(25-2)7-5-11/h4-10H,3H2,1-2H3,(H3,18,20,21,22,23,24)
InChIKeyJPLMDPDGRQRZLI-UHFFFAOYSA-N
XLogP2.92
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea (CID 58881819) is 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(Nc3ccc(OC)cc3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is JPLMDPDGRQRZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-3-18-17(24)23-14-9-8-13-16(21-14)22-15(10-19-13)20-11-4-6-12(25-2)7-5-11/h4-10H,3H2,1-2H3,(H3,18,20,21,22,23,24).
What are the key properties of 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 338.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(4-methoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 58881819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).