1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea

C16H23N3O2 — CID 95150723

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
SMILESCc1cc(C)c(CNC(=O)NC[C@H]2CC=CCC2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O2/c1-11-8-12(2)19-15(20)14(11)10-18-16(21)17-9-13-6-4-3-5-7-13/h3-4,8,13H,5-7,9-10H2,1-2H3,(H,19,20)(H2,17,18,21)/t13-/m0/s1
InChIKeyCQPXGAHPIFMDBY-ZDUSSCGKSA-N
MW289.38 g/mol
LogP2.15
Rot. Bonds4

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea (PubChem CID 95150723) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
PubChem CID95150723
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
SMILESCc1cc(C)c(CNC(=O)NC[C@H]2CC=CCC2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O2/c1-11-8-12(2)19-15(20)14(11)10-18-16(21)17-9-13-6-4-3-5-7-13/h3-4,8,13H,5-7,9-10H2,1-2H3,(H,19,20)(H2,17,18,21)/t13-/m0/s1
InChIKeyCQPXGAHPIFMDBY-ZDUSSCGKSA-N
XLogP2.15
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea with MolForge

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Related Compounds

1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 95976630
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83626481
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95135842
1-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 75534517
9-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984051
(2R)-2-(cyclopropylmethoxy)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95977136
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
1-(2-benzyl-3-hydroxypropyl)-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 71941243
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95975954
N-[3-[[[(1R)-cyclohex-3-en-1-yl]methylcarbamoylamino]methyl]phenyl]-2-methylpropanamide
CID 95263169
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea (CID 95150723) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea is Cc1cc(C)c(CNC(=O)NC[C@H]2CC=CCC2)c(=O)[nH]1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
The InChIKey is CQPXGAHPIFMDBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-8-12(2)19-15(20)14(11)10-18-16(21)17-9-13-6-4-3-5-7-13/h3-4,8,13H,5-7,9-10H2,1-2H3,(H,19,20)(H2,17,18,21)/t13-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea has a molecular weight of 289.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea is sourced from PubChem (CID 95150723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).