1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea

C21H19FN4O4 — CID 30859558

IUPAC1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c1
InChIInChI=1S/C21H19FN4O4/c1-30-17-8-3-7-16(12-17)23-21(29)25-24-19(27)18-9-4-10-26(20(18)28)13-14-5-2-6-15(22)11-14/h2-12H,13H2,1H3,(H,24,27)(H2,23,25,29)
InChIKeyBKHIBECTOKZJMQ-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.51
Rot. Bonds5

About 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea

1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea (PubChem CID 30859558) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
PubChem CID30859558
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c1
InChIInChI=1S/C21H19FN4O4/c1-30-17-8-3-7-16(12-17)23-21(29)25-24-19(27)18-9-4-10-26(20(18)28)13-14-5-2-6-15(22)11-14/h2-12H,13H2,1H3,(H,24,27)(H2,23,25,29)
InChIKeyBKHIBECTOKZJMQ-UHFFFAOYSA-N
XLogP2.51
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide
CID 30837004
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
CID 30859523
1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide
CID 30836963
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859509
N-(1,3-benzodioxol-5-yl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382307
N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599382

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea (CID 30859558) is 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NNC(=O)c2cccn(Cc3cccc(F)c3)c2=O)c1.
What is the InChIKey of 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea?
The InChIKey is BKHIBECTOKZJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-30-17-8-3-7-16(12-17)23-21(29)25-24-19(27)18-9-4-10-26(20(18)28)13-14-5-2-6-15(22)11-14/h2-12H,13H2,1H3,(H,24,27)(H2,23,25,29).
What are the key properties of 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea?
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea has a molecular weight of 410.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 30859558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).