N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

C23H21ClN2O2 — CID 59166215

IUPACN-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccccc4Cl)n3)CC2)cc1
InChIInChI=1S/C23H21ClN2O2/c1-15-7-12-20(25-21(15)18-5-3-4-6-19(18)24)26-22(27)23(13-14-23)16-8-10-17(28-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,25,26,27)
InChIKeyMGSSQTWIOHTLBI-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.39
Rot. Bonds5

About N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 59166215) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID59166215
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccccc4Cl)n3)CC2)cc1
InChIInChI=1S/C23H21ClN2O2/c1-15-7-12-20(25-21(15)18-5-3-4-6-19(18)24)26-22(27)23(13-14-23)16-8-10-17(28-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,25,26,27)
InChIKeyMGSSQTWIOHTLBI-UHFFFAOYSA-N
XLogP5.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 59166215) is N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccccc4Cl)n3)CC2)cc1.
What is the InChIKey of N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is MGSSQTWIOHTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-15-7-12-20(25-21(15)18-5-3-4-6-19(18)24)26-22(27)23(13-14-23)16-8-10-17(28-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,25,26,27).
What are the key properties of N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59166215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).