1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea

C21H18N4O2 — CID 1450101

IUPAC1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1
InChIInChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-11-3-6-19(20(25)26)24-21(27)23-18-5-2-4-17(12-18)13-22/h2-12H,14H2,1H3,(H2,23,24,27)
InChIKeyROEVXASZFLGTBW-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.72
Rot. Bonds4

About 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea

1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 1450101) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID1450101
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1
InChIInChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-11-3-6-19(20(25)26)24-21(27)23-18-5-2-4-17(12-18)13-22/h2-12H,14H2,1H3,(H2,23,24,27)
InChIKeyROEVXASZFLGTBW-UHFFFAOYSA-N
XLogP3.72
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
CID 52947935
1-(2-bromo-4-methylphenyl)-3-(3-cyanophenyl)urea
CID 43132948
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 1478530
N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 92941979
3-[4-[(3-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzonitrile
CID 71142060
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598727
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
(3S)-3-[[1-[(3-chlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoylamino]-3-(4-methylphenyl)propanoic acid
CID 66768435
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide
CID 6488641

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 1450101) is 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea is Cc1ccc(Cn2cccc(NC(=O)Nc3cccc(C#N)c3)c2=O)cc1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is ROEVXASZFLGTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-11-3-6-19(20(25)26)24-21(27)23-18-5-2-4-17(12-18)13-22/h2-12H,14H2,1H3,(H2,23,24,27).
What are the key properties of 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 358.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 1450101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).