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

C17H19FN4O3 — CID 30859523

IUPAC1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
SMILESCCCNC(=O)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C17H19FN4O3/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,20,23)(H2,19,21,25)
InChIKeyMXHJIUWDRULEEC-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.39
Rot. Bonds5

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

1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea (PubChem CID 30859523) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea.

Molecular Properties

Compound Name1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
PubChem CID30859523
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
SMILESCCCNC(=O)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C17H19FN4O3/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,20,23)(H2,19,21,25)
InChIKeyMXHJIUWDRULEEC-UHFFFAOYSA-N
XLogP1.39
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.39
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
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
CID 30859558
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576
butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597581
N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
CID 30836978
2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 50755172
1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859509
1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide
CID 30837004
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523143
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea?
The IUPAC name of 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea (CID 30859523) is 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea.
What is the SMILES notation for 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea?
The canonical SMILES for 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea is CCCNC(=O)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea?
The InChIKey is MXHJIUWDRULEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-2-8-19-17(25)21-20-15(23)14-7-4-9-22(16(14)24)11-12-5-3-6-13(18)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,20,23)(H2,19,21,25).
What are the key properties of 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea?
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea has a molecular weight of 346.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea is sourced from PubChem (CID 30859523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).