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

C24H21Cl2FN2O2 — CID 71519327

IUPAC6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C24H21Cl2FN2O2/c25-18-8-9-23(31-14-16-6-7-19(26)12-21(16)27)17(10-18)11-20-2-1-3-22(29-20)24(30)28-13-15-4-5-15/h1-3,6-10,12,15H,4-5,11,13-14H2,(H,28,30)
InChIKeyNSYOWNMYXMUFHH-UHFFFAOYSA-N
MW459.35 g/mol
LogP5.84
Rot. Bonds8

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

6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide (PubChem CID 71519327) has the molecular formula C24H21Cl2FN2O2 and a molecular weight of 459.35 g/mol. Its IUPAC name is 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide
PubChem CID71519327
Molecular FormulaC24H21Cl2FN2O2
Molecular Weight459.35 g/mol
Exact Mass458.10
IUPAC Name6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C24H21Cl2FN2O2/c25-18-8-9-23(31-14-16-6-7-19(26)12-21(16)27)17(10-18)11-20-2-1-3-22(29-20)24(30)28-13-15-4-5-15/h1-3,6-10,12,15H,4-5,11,13-14H2,(H,28,30)
InChIKeyNSYOWNMYXMUFHH-UHFFFAOYSA-N
XLogP5.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.35
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide (CID 71519327) is 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide is O=C(NCC1CC1)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1.
What is the InChIKey of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide?
The InChIKey is NSYOWNMYXMUFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN2O2/c25-18-8-9-23(31-14-16-6-7-19(26)12-21(16)27)17(10-18)11-20-2-1-3-22(29-20)24(30)28-13-15-4-5-15/h1-3,6-10,12,15H,4-5,11,13-14H2,(H,28,30).
What are the key properties of 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide?
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide has a molecular weight of 459.35 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 71519327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).