[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C22H26N4O — CID 56868954

IUPAC[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCc1[nH]c2ccc(CNc3cc(C(=O)N4CCCC4)ccn3)cc2c1C
InChIInChI=1S/C22H26N4O/c1-3-19-15(2)18-12-16(6-7-20(18)25-19)14-24-21-13-17(8-9-23-21)22(27)26-10-4-5-11-26/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3,(H,23,24)
InChIKeyGUHGWLJOENNINP-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.28
Rot. Bonds5

About [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 56868954) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID56868954
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCc1[nH]c2ccc(CNc3cc(C(=O)N4CCCC4)ccn3)cc2c1C
InChIInChI=1S/C22H26N4O/c1-3-19-15(2)18-12-16(6-7-20(18)25-19)14-24-21-13-17(8-9-23-21)22(27)26-10-4-5-11-26/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3,(H,23,24)
InChIKeyGUHGWLJOENNINP-UHFFFAOYSA-N
XLogP4.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95525382
[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 134710185
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 55042424
[2-[(3,4-dimethoxyphenyl)methylamino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173925
(3S)-1-(2-amino-2-oxoethyl)-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]piperidine-3-carboxamide
CID 95563364
ethyl N-[[4-(piperidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530420
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109170004
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
CID 95563368
[2-(3-cyclohexyloxypropylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135112899
[2-[(4-fluorophenyl)methylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109170652

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 56868954) is [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone is CCc1[nH]c2ccc(CNc3cc(C(=O)N4CCCC4)ccn3)cc2c1C.
What is the InChIKey of [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is GUHGWLJOENNINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-19-15(2)18-12-16(6-7-20(18)25-19)14-24-21-13-17(8-9-23-21)22(27)26-10-4-5-11-26/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3,(H,23,24).
What are the key properties of [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-3-methyl-1H-indol-5-yl)methylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56868954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).