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

C18H20N6O2 — CID 58881846

IUPAC1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(C)c(OC)c3)nc2n1
InChIInChI=1S/C18H20N6O2/c1-4-19-18(25)24-15-8-7-13-17(22-15)23-16(10-20-13)21-12-6-5-11(2)14(9-12)26-3/h5-10H,4H2,1-3H3,(H3,19,21,22,23,24,25)
InChIKeyYBERBXAVYCSDAR-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.23
Rot. Bonds5

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

1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 58881846) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID58881846
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(C)c(OC)c3)nc2n1
InChIInChI=1S/C18H20N6O2/c1-4-19-18(25)24-15-8-7-13-17(22-15)23-16(10-20-13)21-12-6-5-11(2)14(9-12)26-3/h5-10H,4H2,1-3H3,(H3,19,21,22,23,24,25)
InChIKeyYBERBXAVYCSDAR-UHFFFAOYSA-N
XLogP3.23
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881777
1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881935
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 25151707
2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid
CID 25153536
1-ethyl-3-[3-(pyridin-3-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881916
2-[3-[[3-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-6-yl]amino]phenyl]acetic acid
CID 25152091
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943
3-[[3-(3,4,5-trimethoxyanilino)pyrido[2,3-b]pyrazin-6-yl]carbamothioylamino]propanoic acid
CID 140542166
1-ethyl-3-[3-(5-fluoro-2-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 25150944
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610
1-(methoxymethyl)-1-sulfanyl-3-[3-(3,4,5-trimethoxyanilino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 87656311
1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730758

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea (CID 58881846) is 1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(Nc3ccc(C)c(OC)c3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is YBERBXAVYCSDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-4-19-18(25)24-15-8-7-13-17(22-15)23-16(10-20-13)21-12-6-5-11(2)14(9-12)26-3/h5-10H,4H2,1-3H3,(H3,19,21,22,23,24,25).
What are the key properties of 1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 352.40 g/mol, XLogP of 3.23, 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-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 58881846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).