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

C25H26N2O2 — CID 58347353

IUPACN-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1-c1nc(NC(=O)C2(c3ccc(OC)cc3)CC2)ccc1C
InChIInChI=1S/C25H26N2O2/c1-4-18-7-5-6-8-21(18)23-17(2)9-14-22(26-23)27-24(28)25(15-16-25)19-10-12-20(29-3)13-11-19/h5-14H,4,15-16H2,1-3H3,(H,26,27,28)
InChIKeyBKLFZDMZYFIMCE-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.30
Rot. Bonds6

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

N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 58347353) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID58347353
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1-c1nc(NC(=O)C2(c3ccc(OC)cc3)CC2)ccc1C
InChIInChI=1S/C25H26N2O2/c1-4-18-7-5-6-8-21(18)23-17(2)9-14-22(26-23)27-24(28)25(15-16-25)19-10-12-20(29-3)13-11-19/h5-14H,4,15-16H2,1-3H3,(H,26,27,28)
InChIKeyBKLFZDMZYFIMCE-UHFFFAOYSA-N
XLogP5.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 58347353) is N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is CCc1ccccc1-c1nc(NC(=O)C2(c3ccc(OC)cc3)CC2)ccc1C.
What is the InChIKey of N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is BKLFZDMZYFIMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-4-18-7-5-6-8-21(18)23-17(2)9-14-22(26-23)27-24(28)25(15-16-25)19-10-12-20(29-3)13-11-19/h5-14H,4,15-16H2,1-3H3,(H,26,27,28).
What are the key properties of N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 58347353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).