1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea

C21H20N4O3 — CID 30859594

IUPAC1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea
SMILESCc1ccc(Cn2cc(C(=O)NNC(=O)Nc3ccccc3)ccc2=O)cc1
InChIInChI=1S/C21H20N4O3/c1-15-7-9-16(10-8-15)13-25-14-17(11-12-19(25)26)20(27)23-24-21(28)22-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,27)(H2,22,24,28)
InChIKeyBWNYUCJOFDYKDC-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.67
Rot. Bonds4

About 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea

1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea (PubChem CID 30859594) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea
PubChem CID30859594
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea
SMILESCc1ccc(Cn2cc(C(=O)NNC(=O)Nc3ccccc3)ccc2=O)cc1
InChIInChI=1S/C21H20N4O3/c1-15-7-9-16(10-8-15)13-25-14-17(11-12-19(25)26)20(27)23-24-21(28)22-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,27)(H2,22,24,28)
InChIKeyBWNYUCJOFDYKDC-UHFFFAOYSA-N
XLogP2.67
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.67
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-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078
1-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]-3-methylthiourea
CID 2764907
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
1-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 110382997
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
N-(4-carbamoylphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383049
1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 8697162
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N-(2-methoxy-5-methylphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697109

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea?
The IUPAC name of 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea (CID 30859594) is 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea is Cc1ccc(Cn2cc(C(=O)NNC(=O)Nc3ccccc3)ccc2=O)cc1.
What is the InChIKey of 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea?
The InChIKey is BWNYUCJOFDYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-15-7-9-16(10-8-15)13-25-14-17(11-12-19(25)26)20(27)23-24-21(28)22-18-5-3-2-4-6-18/h2-12,14H,13H2,1H3,(H,23,27)(H2,22,24,28).
What are the key properties of 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea?
1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea has a molecular weight of 376.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carbonyl]amino]-3-phenylurea is sourced from PubChem (CID 30859594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).