[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C20H22N4O — CID 109225545

IUPAC[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(NCCc2c[nH]c3ccccc23)c1)N1CCCC1
InChIInChI=1S/C20H22N4O/c25-20(24-9-3-4-10-24)16-11-17(14-21-12-16)22-8-7-15-13-23-19-6-2-1-5-18(15)19/h1-2,5-6,11-14,22-23H,3-4,7-10H2
InChIKeyIWRRAUPKDFEQSW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.45
Rot. Bonds5

About [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109225545) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109225545
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cncc(NCCc2c[nH]c3ccccc23)c1)N1CCCC1
InChIInChI=1S/C20H22N4O/c25-20(24-9-3-4-10-24)16-11-17(14-21-12-16)22-8-7-15-13-23-19-6-2-1-5-18(15)19/h1-2,5-6,11-14,22-23H,3-4,7-10H2
InChIKeyIWRRAUPKDFEQSW-UHFFFAOYSA-N
XLogP3.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605
N-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109237714
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
5-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227676
5-[2-(1H-indol-3-yl)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109237691
5-[2-(1H-indol-3-yl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237696
5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide
CID 109237687
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
[6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363650
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228227
[5-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228397

Frequently Asked Questions

What is the IUPAC name of [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109225545) is [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cncc(NCCc2c[nH]c3ccccc23)c1)N1CCCC1.
What is the InChIKey of [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is IWRRAUPKDFEQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(24-9-3-4-10-24)16-11-17(14-21-12-16)22-8-7-15-13-23-19-6-2-1-5-18(15)19/h1-2,5-6,11-14,22-23H,3-4,7-10H2.
What are the key properties of [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109225545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).