1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea

C16H25N3O — CID 86999651

IUPAC1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea
SMILESCC1CCC(N(C)C(=O)NC(C)c2ccncc2)CC1
InChIInChI=1S/C16H25N3O/c1-12-4-6-15(7-5-12)19(3)16(20)18-13(2)14-8-10-17-11-9-14/h8-13,15H,4-7H2,1-3H3,(H,18,20)
InChIKeyIVRUZJIQXXWUNL-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.36
Rot. Bonds3

About 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea

1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea (PubChem CID 86999651) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea
PubChem CID86999651
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea
SMILESCC1CCC(N(C)C(=O)NC(C)c2ccncc2)CC1
InChIInChI=1S/C16H25N3O/c1-12-4-6-15(7-5-12)19(3)16(20)18-13(2)14-8-10-17-11-9-14/h8-13,15H,4-7H2,1-3H3,(H,18,20)
InChIKeyIVRUZJIQXXWUNL-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95760979
1-(cyclopropylmethyl)-1-propyl-3-(1-pyridin-4-ylethyl)urea
CID 86999671
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 112835878
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665
6-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81404994
4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 71924374
1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea
CID 95961521
1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea
CID 118354280
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94180332

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea (CID 86999651) is 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea is CC1CCC(N(C)C(=O)NC(C)c2ccncc2)CC1.
What is the InChIKey of 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is IVRUZJIQXXWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-4-6-15(7-5-12)19(3)16(20)18-13(2)14-8-10-17-11-9-14/h8-13,15H,4-7H2,1-3H3,(H,18,20).
What are the key properties of 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea?
1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 86999651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).