1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

C19H21N3O2 — CID 109137231

IUPAC1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)C2CC2C(=O)NCc2ccncc2)c1C
InChIInChI=1S/C19H21N3O2/c1-12-4-3-5-17(13(12)2)22-19(24)16-10-15(16)18(23)21-11-14-6-8-20-9-7-14/h3-9,15-16H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPIKXIBNFCSSISL-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.59
Rot. Bonds5

About 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137231) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137231
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)C2CC2C(=O)NCc2ccncc2)c1C
InChIInChI=1S/C19H21N3O2/c1-12-4-3-5-17(13(12)2)22-19(24)16-10-15(16)18(23)21-11-14-6-8-20-9-7-14/h3-9,15-16H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPIKXIBNFCSSISL-UHFFFAOYSA-N
XLogP2.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137236
2-N-(pyridin-4-ylmethyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137238
2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131309
1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137322
1-N-(3-chloro-2-methylphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137094
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
1-N-(2,3-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140804
1-N-(2,4-dimethoxyphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137267
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137253
2-N-(4-acetamidophenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141946
1-N-(2,3-dimethylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141940
1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109137231) is 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is Cc1cccc(NC(=O)C2CC2C(=O)NCc2ccncc2)c1C.
What is the InChIKey of 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PIKXIBNFCSSISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-4-3-5-17(13(12)2)22-19(24)16-10-15(16)18(23)21-11-14-6-8-20-9-7-14/h3-9,15-16H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).