2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide

C26H21ClFN5O3 — CID 171481540

IUPAC2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1nccc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(C)cc3)cc2F)c1Cl
InChIInChI=1S/C26H21ClFN5O3/c1-15-5-7-17(8-6-15)33-26(35)19-4-3-12-29-24(19)32-18-9-10-21(20(28)14-18)36-22-11-13-30-25(23(22)27)31-16(2)34/h3-14H,1-2H3,(H,29,32)(H,33,35)(H,30,31,34)
InChIKeyORCCLAAMQMUUMX-UHFFFAOYSA-N
MW505.94 g/mol
LogP6.32
Rot. Bonds7

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

2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 171481540) has the molecular formula C26H21ClFN5O3 and a molecular weight of 505.94 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID171481540
Molecular FormulaC26H21ClFN5O3
Molecular Weight505.94 g/mol
Exact Mass505.13
IUPAC Name2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)Nc1nccc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(C)cc3)cc2F)c1Cl
InChIInChI=1S/C26H21ClFN5O3/c1-15-5-7-17(8-6-15)33-26(35)19-4-3-12-29-24(19)32-18-9-10-21(20(28)14-18)36-22-11-13-30-25(23(22)27)31-16(2)34/h3-14H,1-2H3,(H,29,32)(H,33,35)(H,30,31,34)
InChIKeyORCCLAAMQMUUMX-UHFFFAOYSA-N
XLogP6.32
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.94
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 171481465
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 171481437
2-[3-fluoro-4-[6-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyanilino]-N-phenylpyridine-3-carboxamide
CID 118197732
ethane;ethyl 2-[4-[(2-amino-3-ethynyl-4-pyridinyl)oxy]-3-fluoroanilino]pyridine-3-carboxylate
CID 143436383
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 171481540) is 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide is CC(=O)Nc1nccc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(C)cc3)cc2F)c1Cl.
What is the InChIKey of 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is ORCCLAAMQMUUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O3/c1-15-5-7-17(8-6-15)33-26(35)19-4-3-12-29-24(19)32-18-9-10-21(20(28)14-18)36-22-11-13-30-25(23(22)27)31-16(2)34/h3-14H,1-2H3,(H,29,32)(H,33,35)(H,30,31,34).
What are the key properties of 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide?
2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 505.94 g/mol, XLogP of 6.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 171481540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).