N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide

C26H25ClFN3O3 — CID 123917366

IUPACN-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide
SMILESCc1cc(Oc2ncc(Cl)cc2F)cc(C)c1C1CCC(CCNC(=O)c2ccccn2)C1=O
InChIInChI=1S/C26H25ClFN3O3/c1-15-11-19(34-26-21(28)13-18(27)14-31-26)12-16(2)23(15)20-7-6-17(24(20)32)8-10-30-25(33)22-5-3-4-9-29-22/h3-5,9,11-14,17,20H,6-8,10H2,1-2H3,(H,30,33)
InChIKeyLILSRCHOWVHFOV-UHFFFAOYSA-N
MW481.96 g/mol
LogP5.56
Rot. Bonds7

About N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide

N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide (PubChem CID 123917366) has the molecular formula C26H25ClFN3O3 and a molecular weight of 481.96 g/mol. Its IUPAC name is N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide
PubChem CID123917366
Molecular FormulaC26H25ClFN3O3
Molecular Weight481.96 g/mol
Exact Mass481.16
IUPAC NameN-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide
SMILESCc1cc(Oc2ncc(Cl)cc2F)cc(C)c1C1CCC(CCNC(=O)c2ccccn2)C1=O
InChIInChI=1S/C26H25ClFN3O3/c1-15-11-19(34-26-21(28)13-18(27)14-31-26)12-16(2)23(15)20-7-6-17(24(20)32)8-10-30-25(33)22-5-3-4-9-29-22/h3-5,9,11-14,17,20H,6-8,10H2,1-2H3,(H,30,33)
InChIKeyLILSRCHOWVHFOV-UHFFFAOYSA-N
XLogP5.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.96
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-4-{[7-({[4-Chloro-3-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N-methylpyridine-2-carboxamide
CID 23585267
4-(5-((4-chlorophenyl)carbamoyl)naphthalen-2-yloxy)-N-methylpicolinamide
CID 24823896
5-(4-chlorophenyl)-N-[4-[4-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]pyridine-2-carboxamide
CID 44527680
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58921211
N-{2-[5-(2-Chloro-pyridin-3-yl)-furan-2-yl]-1-[3-(4-methyl-piperazin-1-yl)-propylcarbamoyl]-vinyl}-2-methyl-benzamide
CID 5771241
5-(2-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 168297007
4-[4-[(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 134149341
4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]benzamide;hydrochloride
CID 44532629
4-(5-chloro-2-pyridinyl)-N-[4-[4-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-1-yl]butyl]benzamide
CID 44532648
N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide
CID 155522937
N-[2-(2-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pyridine-2-carboxamide
CID 155533449
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyridine-2-carboxamide
CID 56644113

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide (CID 123917366) is N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide is Cc1cc(Oc2ncc(Cl)cc2F)cc(C)c1C1CCC(CCNC(=O)c2ccccn2)C1=O.
What is the InChIKey of N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide?
The InChIKey is LILSRCHOWVHFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN3O3/c1-15-11-19(34-26-21(28)13-18(27)14-31-26)12-16(2)23(15)20-7-6-17(24(20)32)8-10-30-25(33)22-5-3-4-9-29-22/h3-5,9,11-14,17,20H,6-8,10H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide?
N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide has a molecular weight of 481.96 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2,6-dimethylphenyl]-2-oxocyclopentyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 123917366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).