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

C16H17N7O — CID 16730758

IUPAC1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(NCc3ccncc3)nc2n1
InChIInChI=1S/C16H17N7O/c1-2-18-16(24)23-13-4-3-12-15(21-13)22-14(10-19-12)20-9-11-5-7-17-8-6-11/h3-8,10H,2,9H2,1H3,(H3,18,20,21,22,23,24)
InChIKeyVETKXLQBWUILRF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.17
Rot. Bonds5

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

1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 16730758) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID16730758
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(NCc3ccncc3)nc2n1
InChIInChI=1S/C16H17N7O/c1-2-18-16(24)23-13-4-3-12-15(21-13)22-14(10-19-12)20-9-11-5-7-17-8-6-11/h3-8,10H,2,9H2,1H3,(H3,18,20,21,22,23,24)
InChIKeyVETKXLQBWUILRF-UHFFFAOYSA-N
XLogP2.17
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.17
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-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea (CID 16730758) is 1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(NCc3ccncc3)nc2n1.
What is the InChIKey of 1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is VETKXLQBWUILRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-2-18-16(24)23-13-4-3-12-15(21-13)22-14(10-19-12)20-9-11-5-7-17-8-6-11/h3-8,10H,2,9H2,1H3,(H3,18,20,21,22,23,24).
What are the key properties of 1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea?
1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 323.36 g/mol, XLogP of 2.17, 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-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 16730758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).