N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide

C21H20N6O — CID 46532818

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c2ccccc21
InChIInChI=1S/C21H20N6O/c1-2-26-13-18(17-8-3-4-9-19(17)26)21(28)22-15-7-5-6-14(12-15)20-23-24-25-27(20)16-10-11-16/h3-9,12-13,16H,2,10-11H2,1H3,(H,22,28)
InChIKeyMSJMNHQOAQPGDE-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.90
Rot. Bonds5

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide (PubChem CID 46532818) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide
PubChem CID46532818
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c2ccccc21
InChIInChI=1S/C21H20N6O/c1-2-26-13-18(17-8-3-4-9-19(17)26)21(28)22-15-7-5-6-14(12-15)20-23-24-25-27(20)16-10-11-16/h3-9,12-13,16H,2,10-11H2,1H3,(H,22,28)
InChIKeyMSJMNHQOAQPGDE-UHFFFAOYSA-N
XLogP3.90
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide
CID 60541651
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 51323319
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55501342
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
CID 41181527
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide (CID 46532818) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide is CCn1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c2ccccc21.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide?
The InChIKey is MSJMNHQOAQPGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-26-13-18(17-8-3-4-9-19(17)26)21(28)22-15-7-5-6-14(12-15)20-23-24-25-27(20)16-10-11-16/h3-9,12-13,16H,2,10-11H2,1H3,(H,22,28).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide is sourced from PubChem (CID 46532818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).