methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate

C24H21ClN2O3 — CID 138713624

IUPACmethyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate
SMILESCOC(=O)c1cc(NC(=O)C2CC2c2ccc(Cl)cc2)ccc1-c1ccc(C)nc1
InChIInChI=1S/C24H21ClN2O3/c1-14-3-4-16(13-26-14)19-10-9-18(11-22(19)24(29)30-2)27-23(28)21-12-20(21)15-5-7-17(25)8-6-15/h3-11,13,20-21H,12H2,1-2H3,(H,27,28)
InChIKeyVORWTEXMBJOXCJ-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.24
Rot. Bonds5

About methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate

methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate (PubChem CID 138713624) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate
PubChem CID138713624
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Namemethyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate
SMILESCOC(=O)c1cc(NC(=O)C2CC2c2ccc(Cl)cc2)ccc1-c1ccc(C)nc1
InChIInChI=1S/C24H21ClN2O3/c1-14-3-4-16(13-26-14)19-10-9-18(11-22(19)24(29)30-2)27-23(28)21-12-20(21)15-5-7-17(25)8-6-15/h3-11,13,20-21H,12H2,1-2H3,(H,27,28)
InChIKeyVORWTEXMBJOXCJ-UHFFFAOYSA-N
XLogP5.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate with MolForge

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Related Compounds

methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-[6-(1,1-difluoropropyl)-3-pyridinyl]benzoate
CID 138713364
5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-[6-(1,1-difluoropropyl)-3-pyridinyl]benzoic acid
CID 138678330
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159022
methyl 2-chloro-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159016
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188
cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685
5-[[(1R,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 138678372
cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 95979513
methyl 2-chloro-5-(6-methyl-3-pyridinyl)benzoate
CID 58818175
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696531
methyl 6-chloro-4-[[(1S,2S)-2-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyridine-3-carboxylate
CID 165134483
2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696673

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate?
The IUPAC name of methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate (CID 138713624) is methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate.
What is the SMILES notation for methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate?
The canonical SMILES for methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate is COC(=O)c1cc(NC(=O)C2CC2c2ccc(Cl)cc2)ccc1-c1ccc(C)nc1.
What is the InChIKey of methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate?
The InChIKey is VORWTEXMBJOXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-14-3-4-16(13-26-14)19-10-9-18(11-22(19)24(29)30-2)27-23(28)21-12-20(21)15-5-7-17(25)8-6-15/h3-11,13,20-21H,12H2,1-2H3,(H,27,28).
What are the key properties of methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate?
methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate has a molecular weight of 420.90 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-2-(6-methyl-3-pyridinyl)benzoate is sourced from PubChem (CID 138713624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).