3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea

C16H25N3O — CID 86841972

IUPAC3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCCC1CCC(NC(=O)N(C)Cc2ccccn2)CC1
InChIInChI=1S/C16H25N3O/c1-3-13-7-9-14(10-8-13)18-16(20)19(2)12-15-6-4-5-11-17-15/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKeyIQYRRMRRKPDOCU-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.19
Rot. Bonds4

About 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea

3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 86841972) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID86841972
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCCC1CCC(NC(=O)N(C)Cc2ccccn2)CC1
InChIInChI=1S/C16H25N3O/c1-3-13-7-9-14(10-8-13)18-16(20)19(2)12-15-6-4-5-11-17-15/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKeyIQYRRMRRKPDOCU-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[4-[1-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]ethyl]phenoxy]acetamide
CID 86841872
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
CID 114037667
N-[4-(2,2-dimethylpropyl)cyclohexyl]-2-pyridin-2-ylacetamide
CID 164971686
N-[(1R,3R)-3-aminocyclopentyl]-2-[methyl(pyridin-2-ylmethyl)amino]acetamide
CID 56868905
4-amino-N-cyclopropyl-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66431406
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
2-ethyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 115430878
1-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 87040459
ethyl 3-[methyl(pyridin-2-ylmethyl)amino]-3-oxopropanoate
CID 115138599
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 86841972) is 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is CCC1CCC(NC(=O)N(C)Cc2ccccn2)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is IQYRRMRRKPDOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13-7-9-14(10-8-13)18-16(20)19(2)12-15-6-4-5-11-17-15/h4-6,11,13-14H,3,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 86841972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).