1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C19H21N3O4 — CID 109136957

IUPAC1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2C(=O)NCc2ccccn2)c1
InChIInChI=1S/C19H21N3O4/c1-25-13-6-7-17(26-2)16(9-13)22-19(24)15-10-14(15)18(23)21-11-12-5-3-4-8-20-12/h3-9,14-15H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRMDZTVSTSHCTFN-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.99
Rot. Bonds7

About 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109136957) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109136957
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CC2C(=O)NCc2ccccn2)c1
InChIInChI=1S/C19H21N3O4/c1-25-13-6-7-17(26-2)16(9-13)22-19(24)15-10-14(15)18(23)21-11-12-5-3-4-8-20-12/h3-9,14-15H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRMDZTVSTSHCTFN-UHFFFAOYSA-N
XLogP1.99
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,3S,4R)-3-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 98086819
2-N-(pyridin-2-ylmethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136993
2-N-[2-(4-methoxyphenoxy)ethyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136894
2-N-benzyl-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109135078
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136877
1-N-(2,4-dimethoxyphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137267
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
1-N-(2,4-dichlorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136999
2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
1-N-(2,4-dimethoxyphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135389
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109136957) is 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide is COc1ccc(OC)c(NC(=O)C2CC2C(=O)NCc2ccccn2)c1.
What is the InChIKey of 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is RMDZTVSTSHCTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-25-13-6-7-17(26-2)16(9-13)22-19(24)15-10-14(15)18(23)21-11-12-5-3-4-8-20-12/h3-9,14-15H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethoxyphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).