N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide

C17H15F2IN4O2 — CID 167121421

IUPACN-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2c(F)cncc2Nc2ccc(I)cc2F)C1
InChIInChI=1S/C17H15F2IN4O2/c1-9(25)24-7-11(8-24)22-17(26)16-13(19)5-21-6-15(16)23-14-3-2-10(20)4-12(14)18/h2-6,11,23H,7-8H2,1H3,(H,22,26)
InChIKeySMQGGHFFTSEJDX-UHFFFAOYSA-N
MW472.23 g/mol
LogP2.67
Rot. Bonds4

About N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide

N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide (PubChem CID 167121421) has the molecular formula C17H15F2IN4O2 and a molecular weight of 472.23 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
PubChem CID167121421
Molecular FormulaC17H15F2IN4O2
Molecular Weight472.23 g/mol
Exact Mass472.02
IUPAC NameN-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
SMILESCC(=O)N1CC(NC(=O)c2c(F)cncc2Nc2ccc(I)cc2F)C1
InChIInChI=1S/C17H15F2IN4O2/c1-9(25)24-7-11(8-24)22-17(26)16-13(19)5-21-6-15(16)23-14-3-2-10(20)4-12(14)18/h2-6,11,23H,7-8H2,1H3,(H,22,26)
InChIKeySMQGGHFFTSEJDX-UHFFFAOYSA-N
XLogP2.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.23
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[[3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538783
3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 167121267
N-[(1R,2S,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 44819281
N-(1-butan-2-ylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 167121246
tert-butyl 3-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538746
3-[[2,3,4,5-tetrafluoro-6-(2-fluoro-4-iodoanilino)benzoyl]amino]azetidine-1-carboxylic acid
CID 174217207
3-[[2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzoyl]amino]pyrrolidine-1-carboxylic acid
CID 174217224
(3-amino-2-hydroxycyclohexyl) 3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67081329
(3R)-3-[[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 68920864
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 169436317
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
2-bromo-N-[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]azetidin-3-yl]acetamide
CID 67051593

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The IUPAC name of N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide (CID 167121421) is N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide is CC(=O)N1CC(NC(=O)c2c(F)cncc2Nc2ccc(I)cc2F)C1.
What is the InChIKey of N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The InChIKey is SMQGGHFFTSEJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2IN4O2/c1-9(25)24-7-11(8-24)22-17(26)16-13(19)5-21-6-15(16)23-14-3-2-10(20)4-12(14)18/h2-6,11,23H,7-8H2,1H3,(H,22,26).
What are the key properties of N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide has a molecular weight of 472.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 167121421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).