4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide

C17H11F2IN4O2 — CID 70823746

IUPAC4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide
SMILESN#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@@H]3C[C@@H]3F)c2)c(I)c1
InChIInChI=1S/C17H11F2IN4O2/c18-11-6-10(11)16(25)24-14-5-9(1-2-22-14)23-17(26)15-12(19)3-8(7-21)4-13(15)20/h1-5,10-11H,6H2,(H2,22,23,24,25,26)/t10-,11+/m1/s1
InChIKeyOODUZIKHOHTSQD-MNOVXSKESA-N
MW468.20 g/mol
LogP3.25
Rot. Bonds4

About 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide

4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide (PubChem CID 70823746) has the molecular formula C17H11F2IN4O2 and a molecular weight of 468.20 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide
PubChem CID70823746
Molecular FormulaC17H11F2IN4O2
Molecular Weight468.20 g/mol
Exact Mass467.99
IUPAC Name4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide
SMILESN#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@@H]3C[C@@H]3F)c2)c(I)c1
InChIInChI=1S/C17H11F2IN4O2/c18-11-6-10(11)16(25)24-14-5-9(1-2-22-14)23-17(26)15-12(19)3-8(7-21)4-13(15)20/h1-5,10-11H,6H2,(H2,22,23,24,25,26)/t10-,11+/m1/s1
InChIKeyOODUZIKHOHTSQD-MNOVXSKESA-N
XLogP3.25
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.20
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide with MolForge

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Related Compounds

2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618232
4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618545
2,6-dichloro-N-[2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618118
2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654
2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide
CID 59618312
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
CID 59617959
2,6-dichloro-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618440
4-(2-bromoacetyl)-3-fluoro-5-iodobenzonitrile
CID 171021896
1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47089927
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide (CID 70823746) is 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide is N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@@H]3C[C@@H]3F)c2)c(I)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide?
The InChIKey is OODUZIKHOHTSQD-MNOVXSKESA-N. The full InChI is InChI=1S/C17H11F2IN4O2/c18-11-6-10(11)16(25)24-14-5-9(1-2-22-14)23-17(26)15-12(19)3-8(7-21)4-13(15)20/h1-5,10-11H,6H2,(H2,22,23,24,25,26)/t10-,11+/m1/s1.
What are the key properties of 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide?
4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide has a molecular weight of 468.20 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide is sourced from PubChem (CID 70823746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).