1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

C19H20ClN3O2 — CID 109137253

IUPAC1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2C(=O)NCc2ccncc2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-11-7-12(2)17(16(20)8-11)23-19(25)15-9-14(15)18(24)22-10-13-3-5-21-6-4-13/h3-8,14-15H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBQOBQXRDWKQNCH-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.24
Rot. Bonds5

About 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137253) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137253
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2C(=O)NCc2ccncc2)c(Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-11-7-12(2)17(16(20)8-11)23-19(25)15-9-14(15)18(24)22-10-13-3-5-21-6-4-13/h3-8,14-15H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBQOBQXRDWKQNCH-UHFFFAOYSA-N
XLogP3.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(pyridin-4-ylmethyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137238
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055218
1-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137252
2-N-(4-acetamidophenyl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143237
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(3-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142871
1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137322
1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137231
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137304
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
1-N-(pyridin-4-ylmethyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976994
2-N-[2-(4-chlorophenyl)ethyl]-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138633
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143240

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109137253) is 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is Cc1cc(C)c(NC(=O)C2CC2C(=O)NCc2ccncc2)c(Cl)c1.
What is the InChIKey of 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is BQOBQXRDWKQNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-11-7-12(2)17(16(20)8-11)23-19(25)15-9-14(15)18(24)22-10-13-3-5-21-6-4-13/h3-8,14-15H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).