1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea

C20H24N4O — CID 113010275

IUPAC1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C20H24N4O/c25-20(23-17-9-5-2-6-10-17)24-18-11-12-19(22-15-18)21-14-13-16-7-3-1-4-8-16/h2,5-7,9-12,15H,1,3-4,8,13-14H2,(H,21,22)(H2,23,24,25)
InChIKeyQYUZZEKZMOKUQH-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.03
Rot. Bonds6

About 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea

1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea (PubChem CID 113010275) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
PubChem CID113010275
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCCC2=CCCCC2)nc1
InChIInChI=1S/C20H24N4O/c25-20(23-17-9-5-2-6-10-17)24-18-11-12-19(22-15-18)21-14-13-16-7-3-1-4-8-16/h2,5-7,9-12,15H,1,3-4,8,13-14H2,(H,21,22)(H2,23,24,25)
InChIKeyQYUZZEKZMOKUQH-UHFFFAOYSA-N
XLogP5.03
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-methylbenzamide
CID 113010234
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2-ethylbutanamide
CID 113010230
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113010267
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109152741
N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113024984
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598
methyl 3-[[6-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109152757
5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid
CID 107853620

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea (CID 113010275) is 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(NCCC2=CCCCC2)nc1.
What is the InChIKey of 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea?
The InChIKey is QYUZZEKZMOKUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(23-17-9-5-2-6-10-17)24-18-11-12-19(22-15-18)21-14-13-16-7-3-1-4-8-16/h2,5-7,9-12,15H,1,3-4,8,13-14H2,(H,21,22)(H2,23,24,25).
What are the key properties of 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea?
1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea has a molecular weight of 336.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113010275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).