1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide

C30H23N7O2 — CID 166357923

IUPAC1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide
SMILESCn1c(-c2ccccc2)c(C(=O)Nc2cccc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)c2)c2ccccc21
InChIInChI=1S/C30H23N7O2/c1-37-25-16-6-5-15-24(25)26(27(37)19-9-3-2-4-10-19)30(39)32-23-14-8-12-21(18-23)29(38)31-22-13-7-11-20(17-22)28-33-35-36-34-28/h2-18H,1H3,(H,31,38)(H,32,39)(H,33,34,35,36)
InChIKeyVAWWPZMTCPJBJJ-UHFFFAOYSA-N
MW513.56 g/mol
LogP5.53
Rot. Bonds6

About 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide

1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide (PubChem CID 166357923) has the molecular formula C30H23N7O2 and a molecular weight of 513.56 g/mol. Its IUPAC name is 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide
PubChem CID166357923
Molecular FormulaC30H23N7O2
Molecular Weight513.56 g/mol
Exact Mass513.19
IUPAC Name1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide
SMILESCn1c(-c2ccccc2)c(C(=O)Nc2cccc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)c2)c2ccccc21
InChIInChI=1S/C30H23N7O2/c1-37-25-16-6-5-15-24(25)26(27(37)19-9-3-2-4-10-19)30(39)32-23-14-8-12-21(18-23)29(38)31-22-13-7-11-20(17-22)28-33-35-36-34-28/h2-18H,1H3,(H,31,38)(H,32,39)(H,33,34,35,36)
InChIKeyVAWWPZMTCPJBJJ-UHFFFAOYSA-N
XLogP5.53
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.56
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 155946246
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17165094
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166211148
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide?
The IUPAC name of 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide (CID 166357923) is 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide is Cn1c(-c2ccccc2)c(C(=O)Nc2cccc(C(=O)Nc3cccc(-c4nn[nH]n4)c3)c2)c2ccccc21.
What is the InChIKey of 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide?
The InChIKey is VAWWPZMTCPJBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7O2/c1-37-25-16-6-5-15-24(25)26(27(37)19-9-3-2-4-10-19)30(39)32-23-14-8-12-21(18-23)29(38)31-22-13-7-11-20(17-22)28-33-35-36-34-28/h2-18H,1H3,(H,31,38)(H,32,39)(H,33,34,35,36).
What are the key properties of 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide?
1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide has a molecular weight of 513.56 g/mol, XLogP of 5.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide is sourced from PubChem (CID 166357923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).