3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea

C29H24N4O2 — CID 20791003

IUPAC3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea
SMILESCc1ccnc2c1c(=O)cc(N(C(=O)NCc1ccccc1)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C29H24N4O2/c1-21-17-18-30-28-27(21)25(34)19-26(32(28)23-13-7-3-8-14-23)33(24-15-9-4-10-16-24)29(35)31-20-22-11-5-2-6-12-22/h2-19H,20H2,1H3,(H,31,35)
InChIKeyWKIXZEVSFDISIS-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.74
Rot. Bonds5

About 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea

3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea (PubChem CID 20791003) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea.

Molecular Properties

Compound Name3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea
PubChem CID20791003
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea
SMILESCc1ccnc2c1c(=O)cc(N(C(=O)NCc1ccccc1)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C29H24N4O2/c1-21-17-18-30-28-27(21)25(34)19-26(32(28)23-13-7-3-8-14-23)33(24-15-9-4-10-16-24)29(35)31-20-22-11-5-2-6-12-22/h2-19H,20H2,1H3,(H,31,35)
InChIKeyWKIXZEVSFDISIS-UHFFFAOYSA-N
XLogP5.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)-N-phenylbenzamide
CID 20791220
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
N-benzyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 6622635
N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 14987229
N-benzyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 20916242
3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
CID 134110940
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
CID 27533724
N-[(4-methylphenyl)methyl]-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)butanamide
CID 50806674
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid
CID 67529175

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea?
The IUPAC name of 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea (CID 20791003) is 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea.
What is the SMILES notation for 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea?
The canonical SMILES for 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea is Cc1ccnc2c1c(=O)cc(N(C(=O)NCc1ccccc1)c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea?
The InChIKey is WKIXZEVSFDISIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c1-21-17-18-30-28-27(21)25(34)19-26(32(28)23-13-7-3-8-14-23)33(24-15-9-4-10-16-24)29(35)31-20-22-11-5-2-6-12-22/h2-19H,20H2,1H3,(H,31,35).
What are the key properties of 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea?
3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea has a molecular weight of 460.54 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(5-methyl-4-oxo-1-phenyl-1,8-naphthyridin-2-yl)-1-phenylurea is sourced from PubChem (CID 20791003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).