N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide

C24H23Cl2FN2O2 — CID 71519478

IUPACN-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C24H23Cl2FN2O2/c1-3-15(2)28-24(30)22-6-4-5-20(29-22)12-17-11-18(25)9-10-23(17)31-14-16-7-8-19(26)13-21(16)27/h4-11,13,15H,3,12,14H2,1-2H3,(H,28,30)
InChIKeyJSHKOWWOAAWJJF-UHFFFAOYSA-N
MW461.36 g/mol
LogP6.23
Rot. Bonds8

About N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide

N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 71519478) has the molecular formula C24H23Cl2FN2O2 and a molecular weight of 461.36 g/mol. Its IUPAC name is N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
PubChem CID71519478
Molecular FormulaC24H23Cl2FN2O2
Molecular Weight461.36 g/mol
Exact Mass460.11
IUPAC NameN-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C24H23Cl2FN2O2/c1-3-15(2)28-24(30)22-6-4-5-20(29-22)12-17-11-18(25)9-10-23(17)31-14-16-7-8-19(26)13-21(16)27/h4-11,13,15H,3,12,14H2,1-2H3,(H,28,30)
InChIKeyJSHKOWWOAAWJJF-UHFFFAOYSA-N
XLogP6.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1yl}-N-[(S)-1-phenyl-ethyl]-benzamide
CID 10369424
N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
CID 11475352
Gsk-269984B
CID 11495634
Sodium 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23662249
Sodium 6-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23664959
Sodium 6-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23674081
Sodium 6-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23690263
Sodium 6-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23694419
Sodium 6-[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23696680
Gsk-269984A
CID 23696973
6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)-methyl]-2-pyridinecarboxamide
CID 24753314
4-{2-[5-Chloro-2-(benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-N-(benzyl)-benzamide
CID 44432346

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide (CID 71519478) is N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide is CCC(C)NC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1.
What is the InChIKey of N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is JSHKOWWOAAWJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FN2O2/c1-3-15(2)28-24(30)22-6-4-5-20(29-22)12-17-11-18(25)9-10-23(17)31-14-16-7-8-19(26)13-21(16)27/h4-11,13,15H,3,12,14H2,1-2H3,(H,28,30).
What are the key properties of N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide?
N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 461.36 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71519478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).