trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C18H20N2O3 — CID 154866052

IUPACtrans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@H]2C(=O)Nc2c(C)ccn(C)c2=O)cc1
InChIInChI=1S/C18H20N2O3/c1-11-8-9-20(2)18(22)16(11)19-17(21)15-10-14(15)12-4-6-13(23-3)7-5-12/h4-9,14-15H,10H2,1-3H3,(H,19,21)/t14-,15+/m0/s1
InChIKeySKMBBUMRFZPOPV-LSDHHAIUSA-N
MW312.37 g/mol
LogP2.44
Rot. Bonds4

About trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 154866052) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID154866052
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nametrans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc([C@@H]2C[C@H]2C(=O)Nc2c(C)ccn(C)c2=O)cc1
InChIInChI=1S/C18H20N2O3/c1-11-8-9-20(2)18(22)16(11)19-17(21)15-10-14(15)12-4-6-13(23-3)7-5-12/h4-9,14-15H,10H2,1-3H3,(H,19,21)/t14-,15+/m0/s1
InChIKeySKMBBUMRFZPOPV-LSDHHAIUSA-N
XLogP2.44
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide 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

trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxamide
CID 166292716
2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 154862185
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
CID 138027191
N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569199
1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 999032
trans-(1R,2R)-2-[4-(difluoromethoxy)phenyl]-N-(1,5-dimethyltriazol-4-yl)cyclopropane-1-carboxamide
CID 138012251
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184
N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84563569
trans-(1S,2S)-N-(4-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95326959

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 154866052) is trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc([C@@H]2C[C@H]2C(=O)Nc2c(C)ccn(C)c2=O)cc1.
What is the InChIKey of trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is SKMBBUMRFZPOPV-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-8-9-20(2)18(22)16(11)19-17(21)15-10-14(15)12-4-6-13(23-3)7-5-12/h4-9,14-15H,10H2,1-3H3,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154866052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).