1-(3-methyl-2-pyridinyl)octylurea

C15H25N3O — CID 175203997

IUPAC1-(3-methyl-2-pyridinyl)octylurea
SMILESCCCCCCCC(NC(N)=O)c1ncccc1C
InChIInChI=1S/C15H25N3O/c1-3-4-5-6-7-10-13(18-15(16)19)14-12(2)9-8-11-17-14/h8-9,11,13H,3-7,10H2,1-2H3,(H3,16,18,19)
InChIKeyQZQJTEHYTFKDNO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds8

About 1-(3-methyl-2-pyridinyl)octylurea

1-(3-methyl-2-pyridinyl)octylurea (PubChem CID 175203997) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)octylurea.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)octylurea
PubChem CID175203997
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3-methyl-2-pyridinyl)octylurea
SMILESCCCCCCCC(NC(N)=O)c1ncccc1C
InChIInChI=1S/C15H25N3O/c1-3-4-5-6-7-10-13(18-15(16)19)14-12(2)9-8-11-17-14/h8-9,11,13H,3-7,10H2,1-2H3,(H3,16,18,19)
InChIKeyQZQJTEHYTFKDNO-UHFFFAOYSA-N
XLogP3.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
4-ethylsulfonyl-N-methyl-1-(3-methyl-2-pyridinyl)butan-1-amine
CID 65095905
1-(3-ethyl-2-pyridinyl)-N-propylheptan-1-amine
CID 82740601
4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 65095907
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
3-methyl-N-[1-(4-methylphenyl)heptyl]pyridin-2-amine
CID 86203051
N-methyl-1-pyrimidin-2-ylundecan-1-amine
CID 62600438
1-phenyloctylcarbamic acid
CID 90271204
1-phenylnonylcarbamic acid
CID 67252081
1-(carbamoylamino)heptylurea
CID 91212304
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-(1H-1,2,4-triazol-5-yl)pentylurea
CID 175608881

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)octylurea?
The IUPAC name of 1-(3-methyl-2-pyridinyl)octylurea (CID 175203997) is 1-(3-methyl-2-pyridinyl)octylurea.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)octylurea?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)octylurea is CCCCCCCC(NC(N)=O)c1ncccc1C.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)octylurea?
The InChIKey is QZQJTEHYTFKDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-5-6-7-10-13(18-15(16)19)14-12(2)9-8-11-17-14/h8-9,11,13H,3-7,10H2,1-2H3,(H3,16,18,19).
What are the key properties of 1-(3-methyl-2-pyridinyl)octylurea?
1-(3-methyl-2-pyridinyl)octylurea has a molecular weight of 263.38 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)octylurea is sourced from PubChem (CID 175203997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).