1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea

C20H26N4O — CID 72901107

IUPAC1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
SMILESO=C(NCCNc1cccnc1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H26N4O/c25-20(23-14-13-22-19-7-4-12-21-15-19)24-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h4,7-12,15-16,22H,1-3,5-6,13-14H2,(H2,23,24,25)
InChIKeySWZQZBKZDRWKLE-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea

1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea (PubChem CID 72901107) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
PubChem CID72901107
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea
SMILESO=C(NCCNc1cccnc1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H26N4O/c25-20(23-14-13-22-19-7-4-12-21-15-19)24-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h4,7-12,15-16,22H,1-3,5-6,13-14H2,(H2,23,24,25)
InChIKeySWZQZBKZDRWKLE-UHFFFAOYSA-N
XLogP4.36
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-4-[2-(pyridin-3-ylamino)ethylcarbamoylamino]benzamide
CID 72875380
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 118767577
1-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 125154948
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
1-(4-cyclohexylphenyl)-3-(2-phenylethyl)urea;formic acid
CID 143736806
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72909132
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72843536
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea?
The IUPAC name of 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea (CID 72901107) is 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea?
The canonical SMILES for 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea is O=C(NCCNc1cccnc1)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea?
The InChIKey is SWZQZBKZDRWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(23-14-13-22-19-7-4-12-21-15-19)24-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h4,7-12,15-16,22H,1-3,5-6,13-14H2,(H2,23,24,25).
What are the key properties of 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea?
1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea has a molecular weight of 338.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-3-[2-(pyridin-3-ylamino)ethyl]urea is sourced from PubChem (CID 72901107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).