1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide

C23H19ClN2O3 — CID 59165825

IUPAC1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1cccc(Cl)c1
InChIInChI=1S/C23H19ClN2O3/c1-14-18(15-3-2-4-17(24)11-15)6-8-21(25-14)26-22(27)23(9-10-23)16-5-7-19-20(12-16)29-13-28-19/h2-8,11-12H,9-10,13H2,1H3,(H,25,26,27)
InChIKeyZTRRNKAEMQDCCL-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.11
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 59165825) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID59165825
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1cccc(Cl)c1
InChIInChI=1S/C23H19ClN2O3/c1-14-18(15-3-2-4-17(24)11-15)6-8-21(25-14)26-22(27)23(9-10-23)16-5-7-19-20(12-16)29-13-28-19/h2-8,11-12H,9-10,13H2,1H3,(H,25,26,27)
InChIKeyZTRRNKAEMQDCCL-UHFFFAOYSA-N
XLogP5.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[5-[2-(hydroxymethyl)phenyl]-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166281
1-(1,3-benzodioxol-5-yl)-N-[5-[3-[dimethylamino(dihydroxy)-λ4-sulfanyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59272539
3-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-methyl-3-pyridinyl]-N-methylbenzamide
CID 59166319
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-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 58609876
1-(1,3-benzodioxol-5-yl)-N-[3-(3-chlorophenyl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158797173
CID 59206976
CID 59206976
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-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159388844
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(3-propan-2-ylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206330
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-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 16679324

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide (CID 59165825) is 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide is Cc1nc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1cccc(Cl)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is ZTRRNKAEMQDCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-14-18(15-3-2-4-17(24)11-15)6-8-21(25-14)26-22(27)23(9-10-23)16-5-7-19-20(12-16)29-13-28-19/h2-8,11-12H,9-10,13H2,1H3,(H,25,26,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 5.11, 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-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59165825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).