1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea

C15H9FN4O3 — CID 67801204

IUPAC1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea
SMILESO=C(NN=c1c(=O)c2ccc(F)cc2c1=O)Nc1ccncc1
InChIInChI=1S/C15H9FN4O3/c16-8-1-2-10-11(7-8)14(22)12(13(10)21)19-20-15(23)18-9-3-5-17-6-4-9/h1-7H,(H2,17,18,20,23)
InChIKeyRJMQHYVGGZQSRC-UHFFFAOYSA-N
MW312.26 g/mol
LogP0.61
Rot. Bonds2

About 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea

1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea (PubChem CID 67801204) has the molecular formula C15H9FN4O3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea
PubChem CID67801204
Molecular FormulaC15H9FN4O3
Molecular Weight312.26 g/mol
Exact Mass312.07
IUPAC Name1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea
SMILESO=C(NN=c1c(=O)c2ccc(F)cc2c1=O)Nc1ccncc1
InChIInChI=1S/C15H9FN4O3/c16-8-1-2-10-11(7-8)14(22)12(13(10)21)19-20-15(23)18-9-3-5-17-6-4-9/h1-7H,(H2,17,18,20,23)
InChIKeyRJMQHYVGGZQSRC-UHFFFAOYSA-N
XLogP0.61
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
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-(2,4-difluorophenyl)-3-[(1,3-dioxoinden-2-ylidene)amino]urea
CID 23373153
1-[(4-nitro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea
CID 67800587
N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
CID 67710095
1-[(1,3-dioxoinden-2-ylidene)amino]-3-(3-methoxyphenyl)urea;hydrate
CID 23373197
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
1-amino-3-pyridin-4-ylurea
CID 15289585
1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea
CID 58862009
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-pyridin-4-yl-2-(2,4,6-trifluorophenyl)acetamide
CID 110487556
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea?
The IUPAC name of 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea (CID 67801204) is 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea is O=C(NN=c1c(=O)c2ccc(F)cc2c1=O)Nc1ccncc1.
What is the InChIKey of 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea?
The InChIKey is RJMQHYVGGZQSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O3/c16-8-1-2-10-11(7-8)14(22)12(13(10)21)19-20-15(23)18-9-3-5-17-6-4-9/h1-7H,(H2,17,18,20,23).
What are the key properties of 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea?
1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea has a molecular weight of 312.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-1,3-dioxoinden-2-ylidene)amino]-3-pyridin-4-ylurea is sourced from PubChem (CID 67801204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).