N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine

C22H24N4 — CID 24987871

IUPACN-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESc1cc(-c2cncc(NC3C4CC5CC3CN(C5)C4)c2)c2cc[nH]c2c1
InChIInChI=1S/C22H24N4/c1-2-19(20-4-5-24-21(20)3-1)15-8-18(10-23-9-15)25-22-16-6-14-7-17(22)13-26(11-14)12-16/h1-5,8-10,14,16-17,22,24-25H,6-7,11-13H2
InChIKeyKBLLNLMQOGHBMV-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.98
Rot. Bonds3

About N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine

N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine (PubChem CID 24987871) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine.

Molecular Properties

Compound NameN-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine
PubChem CID24987871
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine
SMILESc1cc(-c2cncc(NC3C4CC5CC3CN(C5)C4)c2)c2cc[nH]c2c1
InChIInChI=1S/C22H24N4/c1-2-19(20-4-5-24-21(20)3-1)15-8-18(10-23-9-15)25-22-16-6-14-7-17(22)13-26(11-14)12-16/h1-5,8-10,14,16-17,22,24-25H,6-7,11-13H2
InChIKeyKBLLNLMQOGHBMV-UHFFFAOYSA-N
XLogP3.98
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine with MolForge

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Related Compounds

(E)-but-2-enedioic acid;N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 68804170
but-2-enedioic acid;N-[5-(3-methylphenyl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine
CID 68804193
4-[5-[(1R,5R)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]-1H-indole
CID 42610313
(4S,5R)-N-[5-(1H-indol-4-yl)pyrimidin-2-yl]-1-azabicyclo[3.3.1]nonan-4-amine
CID 67362002
(2R,3S)-N-[5-(1H-indol-4-yl)pyrimidin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67492083
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
N-[4-(1H-indol-4-yl)phenyl]-2-methyl-2-azabicyclo[11.3.2]octadecan-15-amine
CID 66787816
N-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide
CID 15603084
N-[(3R,5R)-1-azatricyclo[3.3.1.13,7]decan-4-yl]-1H-indole-5-carboxamide;hydrochloride
CID 141172253
4-[5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridinyl]-1H-indole
CID 25157045
7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 66936733
5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 25012303

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The IUPAC name of N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine (CID 24987871) is N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine.
What is the SMILES notation for N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The canonical SMILES for N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine is c1cc(-c2cncc(NC3C4CC5CC3CN(C5)C4)c2)c2cc[nH]c2c1.
What is the InChIKey of N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine?
The InChIKey is KBLLNLMQOGHBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-19(20-4-5-24-21(20)3-1)15-8-18(10-23-9-15)25-22-16-6-14-7-17(22)13-26(11-14)12-16/h1-5,8-10,14,16-17,22,24-25H,6-7,11-13H2.
What are the key properties of N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine?
N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine has a molecular weight of 344.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indol-4-yl)-3-pyridinyl]-1-azatricyclo[3.3.1.13,7]decan-4-amine is sourced from PubChem (CID 24987871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).