2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide

C24H16ClFN6O2 — CID 171481465

IUPAC2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)c1
InChIInChI=1S/C24H16ClFN6O2/c25-21-20(8-10-29-22(21)28)34-19-7-6-16(12-18(19)26)31-23-17(5-2-9-30-23)24(33)32-15-4-1-3-14(11-15)13-27/h1-12H,(H2,28,29)(H,30,31)(H,32,33)
InChIKeyKMDDDKRTYXPXEI-UHFFFAOYSA-N
MW474.88 g/mol
LogP5.51
Rot. Bonds6

About 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide

2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide (PubChem CID 171481465) has the molecular formula C24H16ClFN6O2 and a molecular weight of 474.88 g/mol. Its IUPAC name is 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide
PubChem CID171481465
Molecular FormulaC24H16ClFN6O2
Molecular Weight474.88 g/mol
Exact Mass474.10
IUPAC Name2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)c1
InChIInChI=1S/C24H16ClFN6O2/c25-21-20(8-10-29-22(21)28)34-19-7-6-16(12-18(19)26)31-23-17(5-2-9-30-23)24(33)32-15-4-1-3-14(11-15)13-27/h1-12H,(H2,28,29)(H,30,31)(H,32,33)
InChIKeyKMDDDKRTYXPXEI-UHFFFAOYSA-N
XLogP5.51
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.88
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 171481540
(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide
CID 167269576
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
ethane;ethyl 2-[4-[(2-amino-3-ethynyl-4-pyridinyl)oxy]-3-fluoroanilino]pyridine-3-carboxylate
CID 143436383
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
2-amino-N-(3-fluoro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62156147
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
CID 11484943
ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
CID 19085386
2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 171481437
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,4-dichlorophenyl)-2-oxoquinoline-3-carboxamide
CID 155538576

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide (CID 171481465) is 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide is N#Cc1cccc(NC(=O)c2cccnc2Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)c1.
What is the InChIKey of 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide?
The InChIKey is KMDDDKRTYXPXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN6O2/c25-21-20(8-10-29-22(21)28)34-19-7-6-16(12-18(19)26)31-23-17(5-2-9-30-23)24(33)32-15-4-1-3-14(11-15)13-27/h1-12H,(H2,28,29)(H,30,31)(H,32,33).
What are the key properties of 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide?
2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide has a molecular weight of 474.88 g/mol, XLogP of 5.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 171481465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).