9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide

C19H27N3O — CID 120994058

IUPAC9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN1CCc2ccc(NC(=O)C3CC4CCCC(C3)C4N)cc21
InChIInChI=1S/C19H27N3O/c1-22-8-7-12-5-6-16(11-17(12)22)21-19(23)15-9-13-3-2-4-14(10-15)18(13)20/h5-6,11,13-15,18H,2-4,7-10,20H2,1H3,(H,21,23)
InChIKeyMQBSFIZOKFSYLX-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.77
Rot. Bonds2

About 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120994058) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120994058
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN1CCc2ccc(NC(=O)C3CC4CCCC(C3)C4N)cc21
InChIInChI=1S/C19H27N3O/c1-22-8-7-12-5-6-16(11-17(12)22)21-19(23)15-9-13-3-2-4-14(10-15)18(13)20/h5-6,11,13-15,18H,2-4,7-10,20H2,1H3,(H,21,23)
InChIKeyMQBSFIZOKFSYLX-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120988225
9-amino-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989748
9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984649
9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993673
9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
9-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984328
N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
CID 110837941
N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729349
9-amino-N-(2H-benzotriazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991865
9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985581

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120994058) is 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide is CN1CCc2ccc(NC(=O)C3CC4CCCC(C3)C4N)cc21.
What is the InChIKey of 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is MQBSFIZOKFSYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-22-8-7-12-5-6-16(11-17(12)22)21-19(23)15-9-13-3-2-4-14(10-15)18(13)20/h5-6,11,13-15,18H,2-4,7-10,20H2,1H3,(H,21,23).
What are the key properties of 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120994058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).