1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

C23H17Cl3N4O2 — CID 145056400

IUPAC1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(C)C(=O)c1cc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1C#N
InChIInChI=1S/C23H17Cl3N4O2/c1-30(2)23(32)17-9-14(3-4-15(17)11-27)22(31)29-21(20-8-6-16(24)12-28-20)13-5-7-18(25)19(26)10-13/h3-10,12,21H,1-2H3,(H,29,31)
InChIKeyOOLXLEZAZQAQML-UHFFFAOYSA-N
MW487.77 g/mol
LogP5.13
Rot. Bonds5

About 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 145056400) has the molecular formula C23H17Cl3N4O2 and a molecular weight of 487.77 g/mol. Its IUPAC name is 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID145056400
Molecular FormulaC23H17Cl3N4O2
Molecular Weight487.77 g/mol
Exact Mass486.04
IUPAC Name1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCN(C)C(=O)c1cc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1C#N
InChIInChI=1S/C23H17Cl3N4O2/c1-30(2)23(32)17-9-14(3-4-15(17)11-27)22(31)29-21(20-8-6-16(24)12-28-20)13-5-7-18(25)19(26)10-13/h3-10,12,21H,1-2H3,(H,29,31)
InChIKeyOOLXLEZAZQAQML-UHFFFAOYSA-N
XLogP5.13
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.77
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288340
3-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyanobenzamide
CID 130288359
3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
CID 145056345
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
CID 130288420
N-[(R)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-methylbenzamide
CID 121264758
N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3,5-difluorobenzamide
CID 130288434
N-[(S)-(5-chloro-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288151
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide
CID 130288596
N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide;N-[(4-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]-4-cyano-3-methylbenzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-[2-(dimethylamino)-2-oxoethoxy]benzamide;N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-3-cyano-4-(2-hydroxyethoxy)benzamide
CID 162164311
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-isocyanothiophene-2-carboxamide
CID 140801895
N-[(4-chlorophenyl)-(6-chloro-3-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 121264422
N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288163

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 145056400) is 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is CN(C)C(=O)c1cc(C(=O)NC(c2ccc(Cl)c(Cl)c2)c2ccc(Cl)cn2)ccc1C#N.
What is the InChIKey of 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is OOLXLEZAZQAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N4O2/c1-30(2)23(32)17-9-14(3-4-15(17)11-27)22(31)29-21(20-8-6-16(24)12-28-20)13-5-7-18(25)19(26)10-13/h3-10,12,21H,1-2H3,(H,29,31).
What are the key properties of 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 487.77 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 145056400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).