1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea

C14H21N3O — CID 114699395

IUPAC1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
SMILESCc1cnccc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C14H21N3O/c1-11-9-15-8-7-12(11)10-16-14(18)17-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H2,16,17,18)
InChIKeyCGSQXWAVIZIFME-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.52
Rot. Bonds3

About 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea

1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea (PubChem CID 114699395) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
PubChem CID114699395
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
SMILESCc1cnccc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C14H21N3O/c1-11-9-15-8-7-12(11)10-16-14(18)17-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H2,16,17,18)
InChIKeyCGSQXWAVIZIFME-UHFFFAOYSA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(3-methyl-4-pyridinyl)methyl]thiourea
CID 114699391
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114957079
1-(2-hydroxycyclohexyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399173
4-[(3-methyl-4-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114701381
3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 114699082
1-cyclohexyl-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine;hydroiodide
CID 109400690
2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 114700240
trans-(1S,3S)-3-[2-(3-methyl-4-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 97242772
1-cyclohexyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 110660494
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea (CID 114699395) is 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea is Cc1cnccc1CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea?
The InChIKey is CGSQXWAVIZIFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-9-15-8-7-12(11)10-16-14(18)17-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea?
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea has a molecular weight of 247.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 114699395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).