(3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride

C21H27ClN4 — CID 127021171

IUPAC(3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCN(C)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1cn(C)c2ccccc12.Cl
InChIInChI=1S/C21H26N4.ClH/c1-23(2)21-15-25(12-16-7-6-10-22-11-16)14-19(21)18-13-24(3)20-9-5-4-8-17(18)20;/h4-11,13,19,21H,12,14-15H2,1-3H3;1H/t19-,21+;/m0./s1
InChIKeyZXGFKYXOYHSFAD-LZAGWAHOSA-N
MW370.93 g/mol
LogP3.52
Rot. Bonds4

About (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride

(3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 127021171) has the molecular formula C21H27ClN4 and a molecular weight of 370.93 g/mol. Its IUPAC name is (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
PubChem CID127021171
Molecular FormulaC21H27ClN4
Molecular Weight370.93 g/mol
Exact Mass370.19
IUPAC Name(3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCN(C)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1cn(C)c2ccccc12.Cl
InChIInChI=1S/C21H26N4.ClH/c1-23(2)21-15-25(12-16-7-6-10-22-11-16)14-19(21)18-13-24(3)20-9-5-4-8-17(18)20;/h4-11,13,19,21H,12,14-15H2,1-3H3;1H/t19-,21+;/m0./s1
InChIKeyZXGFKYXOYHSFAD-LZAGWAHOSA-N
XLogP3.52
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride with MolForge

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Related Compounds

4-[[(3S,4R)-3-(dimethylamino)-4-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 95854755
1-[(2,6-dimethoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
CID 171324465
N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 56895117
3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
CID 164785326
3-[(3-chloro-4-methylpyrrolidin-1-yl)methyl]pyridine
CID 131185945
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,5-diazocane
CID 54977770
(1S,5R)-6-benzyl-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70723250
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine
CID 131671067
1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
CID 86729069
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
CID 166376440
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride (CID 127021171) is (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride is CN(C)[C@@H]1CN(Cc2cccnc2)C[C@H]1c1cn(C)c2ccccc12.Cl.
What is the InChIKey of (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is ZXGFKYXOYHSFAD-LZAGWAHOSA-N. The full InChI is InChI=1S/C21H26N4.ClH/c1-23(2)21-15-25(12-16-7-6-10-22-11-16)14-19(21)18-13-24(3)20-9-5-4-8-17(18)20;/h4-11,13,19,21H,12,14-15H2,1-3H3;1H/t19-,21+;/m0./s1.
What are the key properties of (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride?
(3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 370.93 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,N-dimethyl-4-(1-methylindol-3-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 127021171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).