N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

C24H24N2O3 — CID 59165896

IUPACN-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cccc(CO)c4)n3)CC2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-6-11-21(25-22(16)18-5-3-4-17(14-18)15-27)26-23(28)24(12-13-24)19-7-9-20(29-2)10-8-19/h3-11,14,27H,12-13,15H2,1-2H3,(H,25,26,28)
InChIKeyFFXCHKDOVCGGRY-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.23
Rot. Bonds6

About N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 59165896) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID59165896
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cccc(CO)c4)n3)CC2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-6-11-21(25-22(16)18-5-3-4-17(14-18)15-27)26-23(28)24(12-13-24)19-7-9-20(29-2)10-8-19/h3-11,14,27H,12-13,15H2,1-2H3,(H,25,26,28)
InChIKeyFFXCHKDOVCGGRY-UHFFFAOYSA-N
XLogP4.23
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide
CID 59165998
N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58347353
N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 59166215
1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166158
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[4-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 159850278
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;methane
CID 161410160
4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methoxybenzoic acid
CID 59166022
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467
3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide
CID 166555943
2-[[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoyl]amino]acetic acid
CID 172580119
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
4-(4-methoxyphenyl)-N-[6-[4-(2-methylsulfanylethyl)phenyl]-2-pyridinyl]oxane-4-carboxamide;dihydrate
CID 162085310

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 59165896) is N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cccc(CO)c4)n3)CC2)cc1.
What is the InChIKey of N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is FFXCHKDOVCGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-6-11-21(25-22(16)18-5-3-4-17(14-18)15-27)26-23(28)24(12-13-24)19-7-9-20(29-2)10-8-19/h3-11,14,27H,12-13,15H2,1-2H3,(H,25,26,28).
What are the key properties of N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59165896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).