1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C21H23N7O2 — CID 3219768

IUPAC1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C21H23N7O2/c1-14-5-7-16(8-6-14)24-21(30)27-11-3-4-19(27)20(29)23-17-9-10-18(15(2)12-17)28-13-22-25-26-28/h5-10,12-13,19H,3-4,11H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyYZIBEZJVIICTNX-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.91
Rot. Bonds4

About 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3219768) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3219768
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1
InChIInChI=1S/C21H23N7O2/c1-14-5-7-16(8-6-14)24-21(30)27-11-3-4-19(27)20(29)23-17-9-10-18(15(2)12-17)28-13-22-25-26-28/h5-10,12-13,19H,3-4,11H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyYZIBEZJVIICTNX-UHFFFAOYSA-N
XLogP2.91
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-{4-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]phenyl}butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895840
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 4847095
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216697
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216701
N-[2-Methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-4-[1,2,4]triazol-1-yl-benzamide
CID 25266935
1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 654097
2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 1439317
1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 3230219
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 42913349
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-[1,2,4]triazol-1-yl-benzyl)-acetamide
CID 44332921
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(2-tetrazol-1-yl-benzyl)-acetamide
CID 44333068
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 25102686

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 3219768) is 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1.
What is the InChIKey of 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is YZIBEZJVIICTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-14-5-7-16(8-6-14)24-21(30)27-11-3-4-19(27)20(29)23-17-9-10-18(15(2)12-17)28-13-22-25-26-28/h5-10,12-13,19H,3-4,11H2,1-2H3,(H,23,29)(H,24,30).
What are the key properties of 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylphenyl)-2-N-[3-methyl-4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).