2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C24H21ClN6O2 — CID 138696673

IUPAC2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCOc1ccc(-c2ccc(NC(=O)C3CC3c3cccc(Cl)c3)cc2-c2nn[nH]n2)cn1
InChIInChI=1S/C24H21ClN6O2/c1-2-33-22-9-6-15(13-26-22)18-8-7-17(11-20(18)23-28-30-31-29-23)27-24(32)21-12-19(21)14-4-3-5-16(25)10-14/h3-11,13,19,21H,2,12H2,1H3,(H,27,32)(H,28,29,30,31)
InChIKeyCAJJIZFHFJOOLB-UHFFFAOYSA-N
MW460.93 g/mol
LogP4.72
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 138696673) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID138696673
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCCOc1ccc(-c2ccc(NC(=O)C3CC3c3cccc(Cl)c3)cc2-c2nn[nH]n2)cn1
InChIInChI=1S/C24H21ClN6O2/c1-2-33-22-9-6-15(13-26-22)18-8-7-17(11-20(18)23-28-30-31-29-23)27-24(32)21-12-19(21)14-4-3-5-16(25)10-14/h3-11,13,19,21H,2,12H2,1H3,(H,27,32)(H,28,29,30,31)
InChIKeyCAJJIZFHFJOOLB-UHFFFAOYSA-N
XLogP4.72
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide
CID 159184145
N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-2-phenylcyclopropane-1-carboxamide
CID 138696954
1-(2,5-difluorocyclohexa-1,5-dien-1-yl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 142382208
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
1-(3-chlorophenyl)-N-[4-(6-chloro-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178723
N-[4-(4-tert-butylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 138696406
trans-(1R,2R)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 138696752
2-(4-chlorophenyl)-N-[2-hydroxy-5-(2H-tetrazol-5-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 138696248
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 99777919
cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 96564552
2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide
CID 49195798

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 138696673) is 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is CCOc1ccc(-c2ccc(NC(=O)C3CC3c3cccc(Cl)c3)cc2-c2nn[nH]n2)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is CAJJIZFHFJOOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-2-33-22-9-6-15(13-26-22)18-8-7-17(11-20(18)23-28-30-31-29-23)27-24(32)21-12-19(21)14-4-3-5-16(25)10-14/h3-11,13,19,21H,2,12H2,1H3,(H,27,32)(H,28,29,30,31).
What are the key properties of 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 460.93 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138696673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).