3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide

C27H27N3O4 — CID 59166187

IUPAC3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCc1c(-c2cccc(C(=O)N(C)C)c2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C
InChIInChI=1S/C27H27N3O4/c1-16-17(2)24(28-14-21(16)18-6-5-7-19(12-18)25(31)30(3)4)29-26(32)27(10-11-27)20-8-9-22-23(13-20)34-15-33-22/h5-9,12-14H,10-11,15H2,1-4H3,(H,28,29,32)
InChIKeyCLFQNKPZDJTCPZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.47
Rot. Bonds5

About 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide

3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 59166187) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID59166187
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCc1c(-c2cccc(C(=O)N(C)C)c2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C
InChIInChI=1S/C27H27N3O4/c1-16-17(2)24(28-14-21(16)18-6-5-7-19(12-18)25(31)30(3)4)29-26(32)27(10-11-27)20-8-9-22-23(13-20)34-15-33-22/h5-9,12-14H,10-11,15H2,1-4H3,(H,28,29,32)
InChIKeyCLFQNKPZDJTCPZ-UHFFFAOYSA-N
XLogP4.47
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

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-[3,4-dimethyl-5-(4-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166054
N-[5-[4-(aminomethyl)phenyl]-3,4-dimethyl-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157237884
3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-methylphenyl]-N,N-dimethylbenzamide
CID 59206208
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide
CID 59206018
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-propan-2-ylphenyl]-N,N-dimethylbenzamide
CID 59206428
3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-methyl-3-pyridinyl]-N-methylbenzamide
CID 59166319
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide;molecular hydrogen
CID 162131419
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-(trifluoromethoxy)phenyl]-N,N-dimethylbenzamide
CID 59206710
1-(1,3-benzodioxol-5-yl)-N-[4-methyl-5-[3-(methylaminomethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 129055768
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(3-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206330
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-fluoro-2-methylphenyl]benzoic acid
CID 59206490

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide (CID 59166187) is 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide is Cc1c(-c2cccc(C(=O)N(C)C)c2)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C.
What is the InChIKey of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is CLFQNKPZDJTCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-16-17(2)24(28-14-21(16)18-6-5-7-19(12-18)25(31)30(3)4)29-26(32)27(10-11-27)20-8-9-22-23(13-20)34-15-33-22/h5-9,12-14H,10-11,15H2,1-4H3,(H,28,29,32).
What are the key properties of 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide?
3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 457.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4,5-dimethyl-3-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59166187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).