1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea

C14H21N3O — CID 108903057

IUPAC1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCC2CCCCC2)nc1
InChIInChI=1S/C14H21N3O/c1-11-7-8-13(15-9-11)17-14(18)16-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H2,15,16,17,18)
InChIKeyQRJWHRDKLXVPBV-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.09
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea

1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 108903057) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID108903057
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCC2CCCCC2)nc1
InChIInChI=1S/C14H21N3O/c1-11-7-8-13(15-9-11)17-14(18)16-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H2,15,16,17,18)
InChIKeyQRJWHRDKLXVPBV-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999330
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 86788679
2-(azetidin-3-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 64617953
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108878565
1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 86788660
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 98385049
3-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110958020

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea (CID 108903057) is 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)NCC2CCCCC2)nc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is QRJWHRDKLXVPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-7-8-13(15-9-11)17-14(18)16-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea?
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 247.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108903057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).