1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

C25H24N2O3 — CID 59166054

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2C)cc1
InChIInChI=1S/C25H24N2O3/c1-15-4-6-18(7-5-15)20-13-26-23(17(3)16(20)2)27-24(28)25(10-11-25)19-8-9-21-22(12-19)30-14-29-21/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28)
InChIKeyJNYWQPSNXNVOMG-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.07
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 59166054) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID59166054
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2C)cc1
InChIInChI=1S/C25H24N2O3/c1-15-4-6-18(7-5-15)20-13-26-23(17(3)16(20)2)27-24(28)25(10-11-25)19-8-9-21-22(12-19)30-14-29-21/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28)
InChIKeyJNYWQPSNXNVOMG-UHFFFAOYSA-N
XLogP5.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[5-[4-(aminomethyl)phenyl]-3,4-dimethyl-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157237884
3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide
CID 59166187
1-(1,3-benzodioxol-5-yl)-N-[5-[3-(dimethylsulfamoyl)phenyl]-3,4-dimethyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166188
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-5-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206827
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(4-methylsulfinamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59344841
4-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzamide
CID 59256117
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-4-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166240
1-(1,3-benzodioxol-5-yl)-N-[5-(4-methylbenzoyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 162665077
1-(1,3-benzodioxol-5-yl)-N-[3-methyl-5-(4-methylsulfinamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 71135943
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159596366
1-(1,3-benzodioxol-5-yl)-N-[5-(4-methylsulfonylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 16678732

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 59166054) is 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is Cc1ccc(-c2cnc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(C)c2C)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is JNYWQPSNXNVOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-15-4-6-18(7-5-15)20-13-26-23(17(3)16(20)2)27-24(28)25(10-11-25)19-8-9-21-22(12-19)30-14-29-21/h4-9,12-13H,10-11,14H2,1-3H3,(H,26,27,28).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59166054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).