5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

C21H18Cl2N2O2 — CID 141442192

IUPAC5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cnc1COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O2/c1-14(15-5-3-2-4-6-15)25-21(26)19-11-17(23)12-24-20(19)13-27-18-9-7-16(22)8-10-18/h2-12,14H,13H2,1H3,(H,25,26)/t14-/m0/s1
InChIKeyBOZDABMKLRRMAG-AWEZNQCLSA-N
MW401.29 g/mol
LogP5.46
Rot. Bonds6

About 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 141442192) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID141442192
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC Name5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)cnc1COc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O2/c1-14(15-5-3-2-4-6-15)25-21(26)19-11-17(23)12-24-20(19)13-27-18-9-7-16(22)8-10-18/h2-12,14H,13H2,1H3,(H,25,26)/t14-/m0/s1
InChIKeyBOZDABMKLRRMAG-AWEZNQCLSA-N
XLogP5.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[2-[(4-chlorophenoxy)methyl]-5-fluoropyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 75290936
5-chloro-2-(3-cyanophenoxy)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 141125127
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 16580047
methyl 4-[(1S)-1-[(5-chloro-2-phenoxypyridine-3-carbonyl)amino]ethyl]benzoate
CID 69417840
4-[(1S)-1-[[5-chloro-2-[(3-methoxyphenyl)methyl]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 58905319
5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
CID 141125104
4-[(1S)-1-[[5-chloro-2-[(3-chlorophenyl)methyl]pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 58905391
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
4-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]-N-(1-phenylethyl)benzamide
CID 75767617
4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 11697738
5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide
CID 141125141
5-chloro-2-[(2,4-difluorophenoxy)methyl]-N-[(1S)-1-phenylethyl]benzamide
CID 141125072

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide (CID 141442192) is 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cc(Cl)cnc1COc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is BOZDABMKLRRMAG-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c1-14(15-5-3-2-4-6-15)25-21(26)19-11-17(23)12-24-20(19)13-27-18-9-7-16(22)8-10-18/h2-12,14H,13H2,1H3,(H,25,26)/t14-/m0/s1.
What are the key properties of 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide?
5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 401.29 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenoxy)methyl]-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 141442192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).