1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C22H22N2O4 — CID 159388844

IUPAC1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1ccc(-c2cccc(O)c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
InChIInChI=1S/C22H18N2O4.2H2/c25-17-3-1-2-14(10-17)15-4-7-20(23-12-15)24-21(26)22(8-9-22)16-5-6-18-19(11-16)28-13-27-18;;/h1-7,10-12,25H,8-9,13H2,(H,23,24,26);2*1H
InChIKeyLLVVIAWMUIBYMJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.35
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159388844) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID159388844
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESO=C(Nc1ccc(-c2cccc(O)c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
InChIInChI=1S/C22H18N2O4.2H2/c25-17-3-1-2-14(10-17)15-4-7-20(23-12-15)24-21(26)22(8-9-22)16-5-6-18-19(11-16)28-13-27-18;;/h1-7,10-12,25H,8-9,13H2,(H,23,24,26);2*1H
InChIKeyLLVVIAWMUIBYMJ-UHFFFAOYSA-N
XLogP4.35
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzamide;molecular hydrogen
CID 161257292
1-(1,3-benzodioxol-5-yl)-N-[5-[3-[dimethylamino(dihydroxy)-λ4-sulfanyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59272539
1-(1,3-benzodioxol-5-yl)-N-[5-(4-methylsulfonylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 16678732
1-(1,3-benzodioxol-5-yl)-N-[5-(1H-indol-5-yl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166214
1-(1,3-benzodioxol-5-yl)-N-[5-[4-[dihydroxy(methylamino)-λ4-sulfanyl]phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59272515
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-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159418903
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-[5-(3-chlorophenyl)-6-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 59165825
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-[6-(4-piperidin-1-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 16679324
N-[5-[4-(aminomethyl)phenyl]-3,4-dimethyl-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157237884

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159388844) is 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is O=C(Nc1ccc(-c2cccc(O)c2)cn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is LLVVIAWMUIBYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4.2H2/c25-17-3-1-2-14(10-17)15-4-7-20(23-12-15)24-21(26)22(8-9-22)16-5-6-18-19(11-16)28-13-27-18;;/h1-7,10-12,25H,8-9,13H2,(H,23,24,26);2*1H.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 378.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[5-(3-hydroxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159388844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).