1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea

C15H25N3O — CID 144535580

IUPAC1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea
SMILESCCC(CCC(C)(C)C)NC(=O)Nc1ccccn1
InChIInChI=1S/C15H25N3O/c1-5-12(9-10-15(2,3)4)17-14(19)18-13-8-6-7-11-16-13/h6-8,11-12H,5,9-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyOMCRAEMHPNVJCF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.81
Rot. Bonds5

About 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea

1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea (PubChem CID 144535580) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea
PubChem CID144535580
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea
SMILESCCC(CCC(C)(C)C)NC(=O)Nc1ccccn1
InChIInChI=1S/C15H25N3O/c1-5-12(9-10-15(2,3)4)17-14(19)18-13-8-6-7-11-16-13/h6-8,11-12H,5,9-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyOMCRAEMHPNVJCF-UHFFFAOYSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-(2-tert-butylphenyl)-3-pyridin-2-ylurea
CID 110491801
(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
CID 946111
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
1-[(1S)-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylurea
CID 52521709
1-pyridin-2-yl-3-[(2R)-1-[2-(trifluoromethyl)phenoxy]propan-2-yl]urea
CID 94657175

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea (CID 144535580) is 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea is CCC(CCC(C)(C)C)NC(=O)Nc1ccccn1.
What is the InChIKey of 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea?
The InChIKey is OMCRAEMHPNVJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12(9-10-15(2,3)4)17-14(19)18-13-8-6-7-11-16-13/h6-8,11-12H,5,9-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea?
1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea has a molecular weight of 263.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethylheptan-3-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 144535580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).