1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea

C15H25N3O — CID 167246935

IUPAC1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea
SMILESCCC(CCCC(C)C)NC(=O)Nc1cccnc1
InChIInChI=1S/C15H25N3O/c1-4-13(8-5-7-12(2)3)17-15(19)18-14-9-6-10-16-11-14/h6,9-13H,4-5,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyNESRMQMMGYZYOV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.81
Rot. Bonds7

About 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea

1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea (PubChem CID 167246935) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea
PubChem CID167246935
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea
SMILESCCC(CCCC(C)C)NC(=O)Nc1cccnc1
InChIInChI=1S/C15H25N3O/c1-4-13(8-5-7-12(2)3)17-15(19)18-14-9-6-10-16-11-14/h6,9-13H,4-5,7-8H2,1-3H3,(H2,17,18,19)
InChIKeyNESRMQMMGYZYOV-UHFFFAOYSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 61187819
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111173723
2-[[N'-methyl-N-(6-methylheptan-2-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111173837
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
5-methoxy-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 81086092
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
N'-[(2R)-heptan-2-yl]-N-pyridin-3-ylbutanediamide
CID 40595898
1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
CID 111119402
1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
3-methyl-N-pyridin-3-ylpentanamide;molecular hydrogen
CID 166133137

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea (CID 167246935) is 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea is CCC(CCCC(C)C)NC(=O)Nc1cccnc1.
What is the InChIKey of 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea?
The InChIKey is NESRMQMMGYZYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-13(8-5-7-12(2)3)17-15(19)18-14-9-6-10-16-11-14/h6,9-13H,4-5,7-8H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea?
1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea has a molecular weight of 263.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea is sourced from PubChem (CID 167246935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).