1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea

C20H16Cl2N4O3 — CID 30859509

IUPAC1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
SMILESO=C(NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N4O3/c21-14-6-8-16(9-7-14)23-20(29)25-24-18(27)17-5-2-10-26(19(17)28)12-13-3-1-4-15(22)11-13/h1-11H,12H2,(H,24,27)(H2,23,25,29)
InChIKeyBJFRMHWCAACPAM-UHFFFAOYSA-N
MW431.28 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea

1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea (PubChem CID 30859509) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
PubChem CID30859509
Molecular FormulaC20H16Cl2N4O3
Molecular Weight431.28 g/mol
Exact Mass430.06
IUPAC Name1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
SMILESO=C(NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N4O3/c21-14-6-8-16(9-7-14)23-20(29)25-24-18(27)17-5-2-10-26(19(17)28)12-13-3-1-4-15(22)11-13/h1-11H,12H2,(H,24,27)(H2,23,25,29)
InChIKeyBJFRMHWCAACPAM-UHFFFAOYSA-N
XLogP3.67
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859552
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
CID 30859558
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598067
1-[(3-chlorophenyl)methyl]-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524300
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 3774896

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea (CID 30859509) is 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea is O=C(NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea?
The InChIKey is BJFRMHWCAACPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c21-14-6-8-16(9-7-14)23-20(29)25-24-18(27)17-5-2-10-26(19(17)28)12-13-3-1-4-15(22)11-13/h1-11H,12H2,(H,24,27)(H2,23,25,29).
What are the key properties of 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea?
1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea has a molecular weight of 431.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea is sourced from PubChem (CID 30859509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).