3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide

C18H18N6O2 — CID 91250817

IUPAC3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide
SMILESCCNC(=O)Nc1ccc2ncc(Cc3cccc(C(N)=O)c3)nc2n1
InChIInChI=1S/C18H18N6O2/c1-2-20-18(26)24-15-7-6-14-17(23-15)22-13(10-21-14)9-11-4-3-5-12(8-11)16(19)25/h3-8,10H,2,9H2,1H3,(H2,19,25)(H2,20,22,23,24,26)
InChIKeyVFFRYBIDADDJJI-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.86
Rot. Bonds5

About 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide

3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide (PubChem CID 91250817) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide
PubChem CID91250817
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide
SMILESCCNC(=O)Nc1ccc2ncc(Cc3cccc(C(N)=O)c3)nc2n1
InChIInChI=1S/C18H18N6O2/c1-2-20-18(26)24-15-7-6-14-17(23-15)22-13(10-21-14)9-11-4-3-5-12(8-11)16(19)25/h3-8,10H,2,9H2,1H3,(H2,19,25)(H2,20,22,23,24,26)
InChIKeyVFFRYBIDADDJJI-UHFFFAOYSA-N
XLogP1.86
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
1-ethyl-3-(3-quinolin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea
CID 16730528
1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881935
1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730758
1-ethyl-3-[3-(quinoxalin-6-ylamino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881777
3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]benzamide
CID 67450696
1-ethyl-3-[3-(2,3,5-trichlorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 25151141
1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 89036130
1-ethyl-3-[3-(5-propan-2-ylfuran-2-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 70815127

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide (CID 91250817) is 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide is CCNC(=O)Nc1ccc2ncc(Cc3cccc(C(N)=O)c3)nc2n1.
What is the InChIKey of 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide?
The InChIKey is VFFRYBIDADDJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-20-18(26)24-15-7-6-14-17(23-15)22-13(10-21-14)9-11-4-3-5-12(8-11)16(19)25/h3-8,10H,2,9H2,1H3,(H2,19,25)(H2,20,22,23,24,26).
What are the key properties of 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide?
3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]methyl]benzamide is sourced from PubChem (CID 91250817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).