1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea

C18H18N6O2 — CID 166336428

IUPAC1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea
SMILESO=C(NCCn1ncccc1=O)Nc1cccc(Cc2ccccn2)n1
InChIInChI=1S/C18H18N6O2/c25-17-8-4-10-21-24(17)12-11-20-18(26)23-16-7-3-6-15(22-16)13-14-5-1-2-9-19-14/h1-10H,11-13H2,(H2,20,22,23,26)
InChIKeyAKMZGSBWUBBTAG-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.45
Rot. Bonds6

About 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea

1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea (PubChem CID 166336428) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea
PubChem CID166336428
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea
SMILESO=C(NCCn1ncccc1=O)Nc1cccc(Cc2ccccn2)n1
InChIInChI=1S/C18H18N6O2/c25-17-8-4-10-21-24(17)12-11-20-18(26)23-16-7-3-6-15(22-16)13-14-5-1-2-9-19-14/h1-10H,11-13H2,(H2,20,22,23,26)
InChIKeyAKMZGSBWUBBTAG-UHFFFAOYSA-N
XLogP1.45
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea with MolForge

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Related Compounds

1-(2-chlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948615
1-(3,5-dimethylphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948625
1-(3,5-dichlorophenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948649
1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948399
4-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 42226635
1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948397
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
4-(6-oxopyridazin-1-yl)-N-quinolin-8-ylbutanamide
CID 132575924
2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 62850666
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 165487363
N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
CID 30948474

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea?
The IUPAC name of 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea (CID 166336428) is 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea is O=C(NCCn1ncccc1=O)Nc1cccc(Cc2ccccn2)n1.
What is the InChIKey of 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea?
The InChIKey is AKMZGSBWUBBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17-8-4-10-21-24(17)12-11-20-18(26)23-16-7-3-6-15(22-16)13-14-5-1-2-9-19-14/h1-10H,11-13H2,(H2,20,22,23,26).
What are the key properties of 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea?
1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea has a molecular weight of 350.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-oxopyridazin-1-yl)ethyl]-3-[6-(pyridin-2-ylmethyl)-2-pyridinyl]urea is sourced from PubChem (CID 166336428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).