1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea

C18H24N6O2 — CID 3089072

IUPAC1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea
SMILESO=C(NCCCCCCNC(=O)Nc1cccnc1)Nc1cccnc1
InChIInChI=1S/C18H24N6O2/c25-17(23-15-7-5-9-19-13-15)21-11-3-1-2-4-12-22-18(26)24-16-8-6-10-20-14-16/h5-10,13-14H,1-4,11-12H2,(H2,21,23,25)(H2,22,24,26)
InChIKeyITCZKQCXYLHNFX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.98
Rot. Bonds9

About 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea

1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea (PubChem CID 3089072) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea
PubChem CID3089072
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea
SMILESO=C(NCCCCCCNC(=O)Nc1cccnc1)Nc1cccnc1
InChIInChI=1S/C18H24N6O2/c25-17(23-15-7-5-9-19-13-15)21-11-3-1-2-4-12-22-18(26)24-16-8-6-10-20-14-16/h5-10,13-14H,1-4,11-12H2,(H2,21,23,25)(H2,22,24,26)
InChIKeyITCZKQCXYLHNFX-UHFFFAOYSA-N
XLogP2.98
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Phenyl-1-(pyridin-3-yl)urea
CID 674807
1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
N,N'-bis[(pyridin-2-yl)methyl]ethanediamide
CID 3113972
1-Phenyl-3-(4-pyridyl)urea
CID 4074688
1-(Pyridin-3-yl)piperazine
CID 437234
1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
N,N'-Di-4-pyridinylurea
CID 1082704
N-(4-Chlorophenyl)-N'-(3-pyridinyl)urea
CID 759079
1-Phenyl-3-(3-pyridylmethyl)urea
CID 853670
1-Cyclohexyl-3-pyridin-3-ylurea
CID 721806
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535
1-Phenyl-3-(pyridin-4-ylmethyl)urea
CID 306456

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea?
The IUPAC name of 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea (CID 3089072) is 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea.
What is the SMILES notation for 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea?
The canonical SMILES for 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea is O=C(NCCCCCCNC(=O)Nc1cccnc1)Nc1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea?
The InChIKey is ITCZKQCXYLHNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-17(23-15-7-5-9-19-13-15)21-11-3-1-2-4-12-22-18(26)24-16-8-6-10-20-14-16/h5-10,13-14H,1-4,11-12H2,(H2,21,23,25)(H2,22,24,26).
What are the key properties of 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea?
1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea has a molecular weight of 356.43 g/mol, XLogP of 2.98, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[6-(pyridin-3-ylcarbamoylamino)hexyl]urea is sourced from PubChem (CID 3089072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).