7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide

C16H19N5O — CID 166312546

IUPAC7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC(c3nn[nH]n3)C2)c2c1CCC2
InChIInChI=1S/C16H19N5O/c1-9-5-6-14(13-4-2-3-12(9)13)16(22)17-11-7-10(8-11)15-18-20-21-19-15/h5-6,10-11H,2-4,7-8H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKeyGPJOLWGNEMAWEB-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.67
Rot. Bonds3

About 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide

7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 166312546) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID166312546
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
SMILESCc1ccc(C(=O)NC2CC(c3nn[nH]n3)C2)c2c1CCC2
InChIInChI=1S/C16H19N5O/c1-9-5-6-14(13-4-2-3-12(9)13)16(22)17-11-7-10(8-11)15-18-20-21-19-15/h5-6,10-11H,2-4,7-8H2,1H3,(H,17,22)(H,18,19,20,21)
InChIKeyGPJOLWGNEMAWEB-UHFFFAOYSA-N
XLogP1.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-N-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclopentyl]benzamide
CID 166320542
2-methylsulfanyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 166312547
3-[(1R,2R)-2-methylcyclopropyl]-N-[3-(2H-tetrazol-5-yl)cyclobutyl]propanamide
CID 166315357
7-methyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 128582261
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
N-cyclooctyl-4-(2H-tetrazol-5-yl)piperidine-1-carboxamide
CID 138047066
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 75435150
ethyl 4-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 24974859
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-(3-methylcyclopentyl)-2H-tetrazole-5-carboxamide
CID 114549630
2-(7-methyl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 117281877
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide (CID 166312546) is 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide is Cc1ccc(C(=O)NC2CC(c3nn[nH]n3)C2)c2c1CCC2.
What is the InChIKey of 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is GPJOLWGNEMAWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-9-5-6-14(13-4-2-3-12(9)13)16(22)17-11-7-10(8-11)15-18-20-21-19-15/h5-6,10-11H,2-4,7-8H2,1H3,(H,17,22)(H,18,19,20,21).
What are the key properties of 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide?
7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[3-(2H-tetrazol-5-yl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 166312546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).