2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole

C23H29N3 — CID 153457562

IUPAC2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole
SMILESCc1cc(CC2CCN(C(C)c3cc4ccccc4n3C)C2)cc(C)n1
InChIInChI=1S/C23H29N3/c1-16-11-20(12-17(2)24-16)13-19-9-10-26(15-19)18(3)23-14-21-7-5-6-8-22(21)25(23)4/h5-8,11-12,14,18-19H,9-10,13,15H2,1-4H3
InChIKeyNQHUBTOBHGKEMW-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.82
Rot. Bonds4

About 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole

2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole (PubChem CID 153457562) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole.

Molecular Properties

Compound Name2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole
PubChem CID153457562
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole
SMILESCc1cc(CC2CCN(C(C)c3cc4ccccc4n3C)C2)cc(C)n1
InChIInChI=1S/C23H29N3/c1-16-11-20(12-17(2)24-16)13-19-9-10-26(15-19)18(3)23-14-21-7-5-6-8-22(21)25(23)4/h5-8,11-12,14,18-19H,9-10,13,15H2,1-4H3
InChIKeyNQHUBTOBHGKEMW-UHFFFAOYSA-N
XLogP4.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]quinoxaline;sulfane
CID 161243207
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146283801
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464302
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 146284930
2-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]ethyl]-6-methoxy-3-methylpyridine
CID 153376751
4-[[(3S)-1-[1-(6-methoxy-2-pyridinyl)ethyl]pyrrolidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine;sulfane
CID 161445999
4-[[(3R)-1-[1-(6-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287985
4-[[(3R)-1-[1-(5-ethoxy-1-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288313
4-[[(3R)-1-[1-(5-methoxy-3-pyridinyl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146287848
4-[[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 163887763
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795
N-[3-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-(dimethylsulfamoyl)pyrazol-5-yl]acetamide
CID 146288215

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole?
The IUPAC name of 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole (CID 153457562) is 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole.
What is the SMILES notation for 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole?
The canonical SMILES for 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole is Cc1cc(CC2CCN(C(C)c3cc4ccccc4n3C)C2)cc(C)n1.
What is the InChIKey of 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole?
The InChIKey is NQHUBTOBHGKEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-16-11-20(12-17(2)24-16)13-19-9-10-26(15-19)18(3)23-14-21-7-5-6-8-22(21)25(23)4/h5-8,11-12,14,18-19H,9-10,13,15H2,1-4H3.
What are the key properties of 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole?
2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole has a molecular weight of 347.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1-methylindole is sourced from PubChem (CID 153457562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).