1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide

C21H24N2O4 — CID 100782943

IUPAC1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cn1
InChIInChI=1S/C21H24N2O4/c1-14(2)27-19-8-6-16(12-22-19)23-20(24)21(9-3-4-10-21)15-5-7-17-18(11-15)26-13-25-17/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,23,24)
InChIKeyFVQXFRJXRTWPNJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.05
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 100782943) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide
PubChem CID100782943
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cn1
InChIInChI=1S/C21H24N2O4/c1-14(2)27-19-8-6-16(12-22-19)23-20(24)21(9-3-4-10-21)15-5-7-17-18(11-15)26-13-25-17/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,23,24)
InChIKeyFVQXFRJXRTWPNJ-UHFFFAOYSA-N
XLogP4.05
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
1-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782315
1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yl-3-pyridinyl)cyclopropane-1-carboxamide;6-propan-2-ylpyridin-3-amine
CID 158182061
2,2,5-trimethyl-N-(6-propan-2-yloxy-3-pyridinyl)-1,3-dioxane-5-carboxamide
CID 100779087
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198969
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopentane-1-carboxamide
CID 100782956
1-(1,3-benzodioxol-5-yl)-N-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159418903
1-(1,3-benzodioxol-5-yl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide;ethane;1-methoxyethylbenzene
CID 90947030
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206876
1-(1,3-benzodioxol-5-yl)-N-[3-(2,4-dimethylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206111

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide (CID 100782943) is 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide is CC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)cn1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is FVQXFRJXRTWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)27-19-8-6-16(12-22-19)23-20(24)21(9-3-4-10-21)15-5-7-17-18(11-15)26-13-25-17/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3,(H,23,24).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100782943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).