4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine

C21H26ClN3 — CID 3928393

IUPAC4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine
SMILESCCC(C)c1cccc2c(CCCCN)c(-c3ccncc3Cl)[nH]c12
InChIInChI=1S/C21H26ClN3/c1-3-14(2)15-8-6-9-17-16(7-4-5-11-23)21(25-20(15)17)18-10-12-24-13-19(18)22/h6,8-10,12-14,25H,3-5,7,11,23H2,1-2H3
InChIKeyBDRXYOWAIXFCSG-UHFFFAOYSA-N
MW355.91 g/mol
LogP5.68
Rot. Bonds7

About 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine

4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 3928393) has the molecular formula C21H26ClN3 and a molecular weight of 355.91 g/mol. Its IUPAC name is 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine
PubChem CID3928393
Molecular FormulaC21H26ClN3
Molecular Weight355.91 g/mol
Exact Mass355.18
IUPAC Name4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine
SMILESCCC(C)c1cccc2c(CCCCN)c(-c3ccncc3Cl)[nH]c12
InChIInChI=1S/C21H26ClN3/c1-3-14(2)15-8-6-9-17-16(7-4-5-11-23)21(25-20(15)17)18-10-12-24-13-19(18)22/h6,8-10,12-14,25H,3-5,7,11,23H2,1-2H3
InChIKeyBDRXYOWAIXFCSG-UHFFFAOYSA-N
XLogP5.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine with MolForge

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Related Compounds

4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4211375
4-[7-butan-2-yl-2-(2,6-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3880736
4-[7-butan-2-yl-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3933978
4-[2-(3-chloro-4-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4689864
4-[2-(5-bromothiophen-2-yl)-7-butan-2-yl-1H-indol-3-yl]butan-1-amine
CID 4997507
4-[7-butan-2-yl-2-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 4989080
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 5160195
4-[2-(2-chloro-4-fluorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 4532381
4-[2-(2,3-dichlorophenyl)-7-fluoro-1H-indol-3-yl]butan-1-amine
CID 5140210
4-[7-chloro-2-(2,4-difluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3622916
4-[2-(2,4-dichlorophenyl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 3936091

Frequently Asked Questions

What is the IUPAC name of 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine (CID 3928393) is 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine is CCC(C)c1cccc2c(CCCCN)c(-c3ccncc3Cl)[nH]c12.
What is the InChIKey of 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is BDRXYOWAIXFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3/c1-3-14(2)15-8-6-9-17-16(7-4-5-11-23)21(25-20(15)17)18-10-12-24-13-19(18)22/h6,8-10,12-14,25H,3-5,7,11,23H2,1-2H3.
What are the key properties of 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine?
4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 355.91 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 3928393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).