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

C38H42N4O7 — CID 158182061

IUPAC1-(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
SMILESCC(C)c1ccc(N)cn1.CC(C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.O=C(O)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H20N2O3.C11H10O4.C8H12N2/c1-12(2)15-5-4-14(10-20-15)21-18(22)19(7-8-19)13-3-6-16-17(9-13)24-11-23-16;12-10(13)11(3-4-11)7-1-2-8-9(5-7)15-6-14-8;1-6(2)8-4-3-7(9)5-10-8/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22);1-2,5H,3-4,6H2,(H,12,13);3-6H,9H2,1-2H3
InChIKeyFYSDYJRLZWRXCI-UHFFFAOYSA-N
MW666.78 g/mol
LogP6.92
Rot. Bonds7

About 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

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 (PubChem CID 158182061) has the molecular formula C38H42N4O7 and a molecular weight of 666.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158182061
Molecular FormulaC38H42N4O7
Molecular Weight666.78 g/mol
Exact Mass666.31
IUPAC Name1-(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
SMILESCC(C)c1ccc(N)cn1.CC(C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.O=C(O)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C19H20N2O3.C11H10O4.C8H12N2/c1-12(2)15-5-4-14(10-20-15)21-18(22)19(7-8-19)13-3-6-16-17(9-13)24-11-23-16;12-10(13)11(3-4-11)7-1-2-8-9(5-7)15-6-14-8;1-6(2)8-4-3-7(9)5-10-8/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22);1-2,5H,3-4,6H2,(H,12,13);3-6H,9H2,1-2H3
InChIKeyFYSDYJRLZWRXCI-UHFFFAOYSA-N
XLogP6.92
TPSA155.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 70937866
1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100782943
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-(1,3-benzodioxol-5-yl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 140500368
ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198969
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
N-[3-(3-amino-4-methylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159139992
1-(1,3-benzodioxol-5-yl)-N-[3-methyl-4-(3-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159905939
1-(1,3-benzodioxol-5-yl)-N-[5-[dimethylamino(phenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58609952
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-[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)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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(N)cn1.CC(C)c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.O=C(O)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 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?
The InChIKey is FYSDYJRLZWRXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3.C11H10O4.C8H12N2/c1-12(2)15-5-4-14(10-20-15)21-18(22)19(7-8-19)13-3-6-16-17(9-13)24-11-23-16;12-10(13)11(3-4-11)7-1-2-8-9(5-7)15-6-14-8;1-6(2)8-4-3-7(9)5-10-8/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22);1-2,5H,3-4,6H2,(H,12,13);3-6H,9H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 666.78 g/mol, XLogP of 6.92, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158182061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).