1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea

C15H23N3O — CID 47125969

IUPAC1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
SMILESCC1CCCC(NC(=O)NCc2ccccn2)C1C
InChIInChI=1S/C15H23N3O/c1-11-6-5-8-14(12(11)2)18-15(19)17-10-13-7-3-4-9-16-13/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H2,17,18,19)
InChIKeyNEQAMENCSYWIMH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.71
Rot. Bonds3

About 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea

1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 47125969) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID47125969
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
SMILESCC1CCCC(NC(=O)NCc2ccccn2)C1C
InChIInChI=1S/C15H23N3O/c1-11-6-5-8-14(12(11)2)18-15(19)17-10-13-7-3-4-9-16-13/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H2,17,18,19)
InChIKeyNEQAMENCSYWIMH-UHFFFAOYSA-N
XLogP2.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
1-[(3aR,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-(pyridin-2-ylmethyl)urea
CID 97225989
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058890
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
1-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058744
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776590
1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 49120592
N-(2,3-dimethylcyclohexyl)-4-pyridin-2-ylbenzamide
CID 59673793
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-quinolin-8-ylacetamide
CID 98701498
1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111422950
1-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-(pyridin-2-ylmethyl)urea
CID 94594424

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea (CID 47125969) is 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea is CC1CCCC(NC(=O)NCc2ccccn2)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is NEQAMENCSYWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-6-5-8-14(12(11)2)18-15(19)17-10-13-7-3-4-9-16-13/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea?
1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 261.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 47125969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).