3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide

C17H16F3IN4O — CID 167121267

IUPAC3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
SMILESO=C(NC1CN(CCF)C1)c1c(F)cncc1Nc1ccc(I)cc1F
InChIInChI=1S/C17H16F3IN4O/c18-3-4-25-8-11(9-25)23-17(26)16-13(20)6-22-7-15(16)24-14-2-1-10(21)5-12(14)19/h1-2,5-7,11,24H,3-4,8-9H2,(H,23,26)
InChIKeyGPGGRZRTYFMNPM-UHFFFAOYSA-N
MW476.24 g/mol
LogP3.09
Rot. Bonds6

About 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide

3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide (PubChem CID 167121267) has the molecular formula C17H16F3IN4O and a molecular weight of 476.24 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
PubChem CID167121267
Molecular FormulaC17H16F3IN4O
Molecular Weight476.24 g/mol
Exact Mass476.03
IUPAC Name3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
SMILESO=C(NC1CN(CCF)C1)c1c(F)cncc1Nc1ccc(I)cc1F
InChIInChI=1S/C17H16F3IN4O/c18-3-4-25-8-11(9-25)23-17(26)16-13(20)6-22-7-15(16)24-14-2-1-10(21)5-12(14)19/h1-2,5-7,11,24H,3-4,8-9H2,(H,23,26)
InChIKeyGPGGRZRTYFMNPM-UHFFFAOYSA-N
XLogP3.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.24
LogP ≤ 53.09
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

N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 167121421
tert-butyl 3-[[3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538783
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
3-[[2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzoyl]amino]pyrrolidine-1-carboxylic acid
CID 174217224
3-[[2,3,4,5-tetrafluoro-6-(2-fluoro-4-iodoanilino)benzoyl]amino]azetidine-1-carboxylic acid
CID 174217207
tert-butyl 3-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]azetidine-1-carboxylate
CID 164538746
(3-amino-2-hydroxycyclohexyl) 3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67081329
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 169436317
(3R)-3-[[2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 68920864
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide (CID 167121267) is 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide is O=C(NC1CN(CCF)C1)c1c(F)cncc1Nc1ccc(I)cc1F.
What is the InChIKey of 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
The InChIKey is GPGGRZRTYFMNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3IN4O/c18-3-4-25-8-11(9-25)23-17(26)16-13(20)6-22-7-15(16)24-14-2-1-10(21)5-12(14)19/h1-2,5-7,11,24H,3-4,8-9H2,(H,23,26).
What are the key properties of 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide?
3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide has a molecular weight of 476.24 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 167121267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).