1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea

C18H21N3O2 — CID 56818346

IUPAC1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCCn1cc(NC(=O)NCC2(c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C18H21N3O2/c1-2-21-12-15(8-9-16(21)22)20-17(23)19-13-18(10-11-18)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H2,19,20,23)
InChIKeyJVRPGQMGMRSGSX-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.72
Rot. Bonds5

About 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea

1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea (PubChem CID 56818346) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
PubChem CID56818346
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
SMILESCCn1cc(NC(=O)NCC2(c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C18H21N3O2/c1-2-21-12-15(8-9-16(21)22)20-17(23)19-13-18(10-11-18)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H2,19,20,23)
InChIKeyJVRPGQMGMRSGSX-UHFFFAOYSA-N
XLogP2.72
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252
ethyl (2R)-3-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]-2-methylpropanoate
CID 95973767
ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate
CID 14977501
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 36598462
1-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 115437467

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The IUPAC name of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea (CID 56818346) is 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea is CCn1cc(NC(=O)NCC2(c3ccccc3)CC2)ccc1=O.
What is the InChIKey of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea?
The InChIKey is JVRPGQMGMRSGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-21-12-15(8-9-16(21)22)20-17(23)19-13-18(10-11-18)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea?
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea has a molecular weight of 311.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea is sourced from PubChem (CID 56818346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).