6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide

C40H38Cl2N4O3 — CID 143311251

IUPAC6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(C2CC(Oc3ccc(C)cc3)CCN2C(=O)c2cccc(-c3ccccc3Cl)n2)cc(-c2ccccc2Cl)n1
InChIInChI=1S/C40H38Cl2N4O3/c1-4-45(5-2)39(47)37-24-27(23-36(44-37)31-12-7-9-14-33(31)42)38-25-29(49-28-19-17-26(3)18-20-28)21-22-46(38)40(48)35-16-10-15-34(43-35)30-11-6-8-13-32(30)41/h6-20,23-24,29,38H,4-5,21-22,25H2,1-3H3
InChIKeyBFRFPJDBQSCWPX-UHFFFAOYSA-N
MW693.68 g/mol
LogP9.33
Rot. Bonds9

About 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide

6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide (PubChem CID 143311251) has the molecular formula C40H38Cl2N4O3 and a molecular weight of 693.68 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide
PubChem CID143311251
Molecular FormulaC40H38Cl2N4O3
Molecular Weight693.68 g/mol
Exact Mass692.23
IUPAC Name6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(C2CC(Oc3ccc(C)cc3)CCN2C(=O)c2cccc(-c3ccccc3Cl)n2)cc(-c2ccccc2Cl)n1
InChIInChI=1S/C40H38Cl2N4O3/c1-4-45(5-2)39(47)37-24-27(23-36(44-37)31-12-7-9-14-33(31)42)38-25-29(49-28-19-17-26(3)18-20-28)21-22-46(38)40(48)35-16-10-15-34(43-35)30-11-6-8-13-32(30)41/h6-20,23-24,29,38H,4-5,21-22,25H2,1-3H3
InChIKeyBFRFPJDBQSCWPX-UHFFFAOYSA-N
XLogP9.33
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.68
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)-3-chlorophenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 71499432
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-2,6-dichloropyridine-3-carboxamide
CID 71499475
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-2-chloro-6-methylpyridine-4-carboxamide
CID 89350754
5-[[4-[1-(6-Chloropyridine-2-carbonyl)piperidin-4-yl]oxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 71459172
[4-Chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 118343443
Tert-butyl 4-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 118343569
4-[4-[3-(2,4-Dichlorophenyl)-5-[4-[(3-fluoroanilino)methyl]piperidine-1-carbonyl]-1-methylpyrrol-2-yl]phenoxy]butanamide
CID 152747207
4-[3-[1-acetyl-5-(fluoromethyl)-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]-6-chloro-2-pyridinyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176127278
4-[4-[(2S,5S)-1-acetyl-5-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]-6-chloro-2-pyridinyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176127348
4-[4-[(2S,5S)-1-acetyl-5-(fluoromethyl)-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]-6-chloro-2-pyridinyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176127414
4-[4-[1-acetyl-5-(fluoromethyl)-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]-6-chloro-2-pyridinyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176590671
4-[4-[(2R,5R)-1-acetyl-5-(fluoromethyl)-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]-6-chloro-2-pyridinyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176590906

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide (CID 143311251) is 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(C2CC(Oc3ccc(C)cc3)CCN2C(=O)c2cccc(-c3ccccc3Cl)n2)cc(-c2ccccc2Cl)n1.
What is the InChIKey of 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide?
The InChIKey is BFRFPJDBQSCWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38Cl2N4O3/c1-4-45(5-2)39(47)37-24-27(23-36(44-37)31-12-7-9-14-33(31)42)38-25-29(49-28-19-17-26(3)18-20-28)21-22-46(38)40(48)35-16-10-15-34(43-35)30-11-6-8-13-32(30)41/h6-20,23-24,29,38H,4-5,21-22,25H2,1-3H3.
What are the key properties of 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide?
6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide has a molecular weight of 693.68 g/mol, XLogP of 9.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-4-[1-[6-(2-chlorophenyl)pyridine-2-carbonyl]-4-(4-methylphenoxy)piperidin-2-yl]-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 143311251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).