trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C20H24N2O3 — CID 95302740

IUPACtrans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@H]2C(=O)NCc2ncc(C)c(OC)c2C)cc1
InChIInChI=1S/C20H24N2O3/c1-12-10-21-18(13(2)19(12)25-4)11-22-20(23)17-9-16(17)14-5-7-15(24-3)8-6-14/h5-8,10,16-17H,9,11H2,1-4H3,(H,22,23)/t16-,17+/m0/s1
InChIKeyNBRLOZDSVWZTBG-DLBZAZTESA-N
MW340.42 g/mol
LogP3.14
Rot. Bonds6

About trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 95302740) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID95302740
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametrans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@H]2C(=O)NCc2ncc(C)c(OC)c2C)cc1
InChIInChI=1S/C20H24N2O3/c1-12-10-21-18(13(2)19(12)25-4)11-22-20(23)17-9-16(17)14-5-7-15(24-3)8-6-14/h5-8,10,16-17H,9,11H2,1-4H3,(H,22,23)/t16-,17+/m0/s1
InChIKeyNBRLOZDSVWZTBG-DLBZAZTESA-N
XLogP3.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 94353124
cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 94353102
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182695
(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94353144
trans-(1R,2R)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824020
trans-(1S,2S)-N-[2-(benzylamino)-2-oxoethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 94824019
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 49353685
trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 95784712
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
CID 138027191
N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84563569
2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 110889438

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 95302740) is trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc([C@@H]2C[C@H]2C(=O)NCc2ncc(C)c(OC)c2C)cc1.
What is the InChIKey of trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is NBRLOZDSVWZTBG-DLBZAZTESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12-10-21-18(13(2)19(12)25-4)11-22-20(23)17-9-16(17)14-5-7-15(24-3)8-6-14/h5-8,10,16-17H,9,11H2,1-4H3,(H,22,23)/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95302740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).