3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride

C16H22ClN3O — CID 154896293

IUPAC3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2[nH]c(C(=O)N[C@H]3CCNC3)c(C)c2c1.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-9-6-10(2)14-13(7-9)11(3)15(19-14)16(20)18-12-4-5-17-8-12;/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyDBSGWRVTFKVOLH-YDALLXLXSA-N
MW307.83 g/mol
LogP2.61
Rot. Bonds2

About 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride

3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride (PubChem CID 154896293) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride
PubChem CID154896293
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride
SMILESCc1cc(C)c2[nH]c(C(=O)N[C@H]3CCNC3)c(C)c2c1.Cl
InChIInChI=1S/C16H21N3O.ClH/c1-9-6-10(2)14-13(7-9)11(3)15(19-14)16(20)18-12-4-5-17-8-12;/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20);1H/t12-;/m0./s1
InChIKeyDBSGWRVTFKVOLH-YDALLXLXSA-N
XLogP2.61
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4,6,7-trimethyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68709252
4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119452631
(2,4,6-trimethylphenyl) N-pyrrolidin-3-ylcarbamate
CID 116819980
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166178324
2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449965
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 46963623
5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119450293
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride (CID 154896293) is 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride is Cc1cc(C)c2[nH]c(C(=O)N[C@H]3CCNC3)c(C)c2c1.Cl.
What is the InChIKey of 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is DBSGWRVTFKVOLH-YDALLXLXSA-N. The full InChI is InChI=1S/C16H21N3O.ClH/c1-9-6-10(2)14-13(7-9)11(3)15(19-14)16(20)18-12-4-5-17-8-12;/h6-7,12,17,19H,4-5,8H2,1-3H3,(H,18,20);1H/t12-;/m0./s1.
What are the key properties of 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride?
3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 307.83 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyl-N-[(3S)-pyrrolidin-3-yl]-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154896293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).