[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone

C21H24N4O — CID 110107752

IUPAC[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCN(C)Cc1cc(C2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1
InChIInChI=1S/C21H24N4O/c1-24(2)14-17-12-16(9-10-22-17)20-8-5-11-25(20)21(26)19-13-15-6-3-4-7-18(15)23-19/h3-4,6-7,9-10,12-13,20,23H,5,8,11,14H2,1-2H3
InChIKeyWIUJKCAPYJNWQF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.60
Rot. Bonds4

About [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone

[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 110107752) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID110107752
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCN(C)Cc1cc(C2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1
InChIInChI=1S/C21H24N4O/c1-24(2)14-17-12-16(9-10-22-17)20-8-5-11-25(20)21(26)19-13-15-6-3-4-7-18(15)23-19/h3-4,6-7,9-10,12-13,20,23H,5,8,11,14H2,1-2H3
InChIKeyWIUJKCAPYJNWQF-UHFFFAOYSA-N
XLogP3.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 41141951
1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 124999557
[(2S)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124998428
[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110107736
(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 95196207
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
(5-bromo-1H-indol-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42947361
6-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 125014374
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
[3-[(dimethylamino)methyl]-1,4-thiazepan-4-yl]-(1H-indol-2-yl)methanone
CID 90568025
(6-bromo-1H-indol-2-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 178095403
1-[(2R)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 125025402

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone (CID 110107752) is [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone is CN(C)Cc1cc(C2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1.
What is the InChIKey of [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is WIUJKCAPYJNWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24(2)14-17-12-16(9-10-22-17)20-8-5-11-25(20)21(26)19-13-15-6-3-4-7-18(15)23-19/h3-4,6-7,9-10,12-13,20,23H,5,8,11,14H2,1-2H3.
What are the key properties of [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 110107752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).