1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea

C18H20N4O2 — CID 146091357

IUPAC1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea
SMILESCCn1cc(NC(=O)NC(CCC#N)c2ccccc2)ccc1=O
InChIInChI=1S/C18H20N4O2/c1-2-22-13-15(10-11-17(22)23)20-18(24)21-16(9-6-12-19)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16H,2,6,9H2,1H3,(H2,20,21,24)
InChIKeyCRIBOEIDCCWFLZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.03
Rot. Bonds6

About 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea

1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea (PubChem CID 146091357) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea
PubChem CID146091357
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea
SMILESCCn1cc(NC(=O)NC(CCC#N)c2ccccc2)ccc1=O
InChIInChI=1S/C18H20N4O2/c1-2-22-13-15(10-11-17(22)23)20-18(24)21-16(9-6-12-19)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16H,2,6,9H2,1H3,(H2,20,21,24)
InChIKeyCRIBOEIDCCWFLZ-UHFFFAOYSA-N
XLogP3.03
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-phenylpropanamide
CID 78984653
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
CID 119723753
(Z)-4-[(1-ethyl-6-oxo-3-pyridinyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169258
1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 97314632
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 56818346
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(methylamino)benzamide
CID 61378041
2-[(1-ethyl-6-oxo-3-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113888
1-benzyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-methylurea
CID 48739052
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea
CID 75422075

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea (CID 146091357) is 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea is CCn1cc(NC(=O)NC(CCC#N)c2ccccc2)ccc1=O.
What is the InChIKey of 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea?
The InChIKey is CRIBOEIDCCWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-22-13-15(10-11-17(22)23)20-18(24)21-16(9-6-12-19)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16H,2,6,9H2,1H3,(H2,20,21,24).
What are the key properties of 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea?
1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea has a molecular weight of 324.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea is sourced from PubChem (CID 146091357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).