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

C19H21ClN2O2 — CID 94353124

IUPACtrans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1C
InChIInChI=1S/C19H21ClN2O2/c1-11-9-21-17(12(2)18(11)24-3)10-22-19(23)15-8-14(15)13-6-4-5-7-16(13)20/h4-7,9,14-15H,8,10H2,1-3H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyXXFRUWSCMXSRHR-LSDHHAIUSA-N
MW344.84 g/mol
LogP3.78
Rot. Bonds5

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

trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 94353124) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID94353124
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Nametrans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1C
InChIInChI=1S/C19H21ClN2O2/c1-11-9-21-17(12(2)18(11)24-3)10-22-19(23)15-8-14(15)13-6-4-5-7-16(13)20/h4-7,9,14-15H,8,10H2,1-3H3,(H,22,23)/t14-,15+/m0/s1
InChIKeyXXFRUWSCMXSRHR-LSDHHAIUSA-N
XLogP3.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95302740
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
2-(2-chlorophenyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 112819613
cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 94353102
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 112829742
(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94353144
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 49353685
cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 129424865
1-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]urea
CID 95113509
cis-(1R,2S)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)cyclopropane-1-carboxamide
CID 95781314
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 94353124) is trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is COc1c(C)cnc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)c1C.
What is the InChIKey of trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is XXFRUWSCMXSRHR-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-11-9-21-17(12(2)18(11)24-3)10-22-19(23)15-8-14(15)13-6-4-5-7-16(13)20/h4-7,9,14-15H,8,10H2,1-3H3,(H,22,23)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94353124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).