2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid

C18H18N6O3 — CID 25153536

IUPAC2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid
SMILESCCNC(=O)Nc1ccc2ncc(Nc3cccc(CC(=O)O)c3)nc2n1
InChIInChI=1S/C18H18N6O3/c1-2-19-18(27)24-14-7-6-13-17(22-14)23-15(10-20-13)21-12-5-3-4-11(8-12)9-16(25)26/h3-8,10H,2,9H2,1H3,(H,25,26)(H3,19,21,22,23,24,27)
InChIKeyYCEICGWSVVXDNQ-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.54
Rot. Bonds6

About 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid

2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid (PubChem CID 25153536) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid
PubChem CID25153536
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid
SMILESCCNC(=O)Nc1ccc2ncc(Nc3cccc(CC(=O)O)c3)nc2n1
InChIInChI=1S/C18H18N6O3/c1-2-19-18(27)24-14-7-6-13-17(22-14)23-15(10-20-13)21-12-5-3-4-11(8-12)9-16(25)26/h3-8,10H,2,9H2,1H3,(H,25,26)(H3,19,21,22,23,24,27)
InChIKeyYCEICGWSVVXDNQ-UHFFFAOYSA-N
XLogP2.54
TPSA129.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[[3-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-6-yl]amino]phenyl]acetic acid
CID 25152091
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 25151707
1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881777
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
1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881846
2-[3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]phenyl]acetic acid
CID 67448484
3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide
CID 91250817
1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730758
1-[3-(2,6-dimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881943
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
1-[3-(3-chloroanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethyl-1-sulfanylurea
CID 87654657

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid (CID 25153536) is 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid is CCNC(=O)Nc1ccc2ncc(Nc3cccc(CC(=O)O)c3)nc2n1.
What is the InChIKey of 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid?
The InChIKey is YCEICGWSVVXDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-2-19-18(27)24-14-7-6-13-17(22-14)23-15(10-20-13)21-12-5-3-4-11(8-12)9-16(25)26/h3-8,10H,2,9H2,1H3,(H,25,26)(H3,19,21,22,23,24,27).
What are the key properties of 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid?
2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid has a molecular weight of 366.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]phenyl]acetic acid is sourced from PubChem (CID 25153536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).