4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine

C17H18IN3 — CID 3287232

IUPAC4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2cccnc2)[nH]c2ccc(I)cc12
InChIInChI=1S/C17H18IN3/c18-13-6-7-16-15(10-13)14(5-1-2-8-19)17(21-16)12-4-3-9-20-11-12/h3-4,6-7,9-11,21H,1-2,5,8,19H2
InChIKeyFOOUIAKLUFGHIX-UHFFFAOYSA-N
MW391.26 g/mol
LogP4.12
Rot. Bonds5

About 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine

4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine (PubChem CID 3287232) has the molecular formula C17H18IN3 and a molecular weight of 391.26 g/mol. Its IUPAC name is 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
PubChem CID3287232
Molecular FormulaC17H18IN3
Molecular Weight391.26 g/mol
Exact Mass391.05
IUPAC Name4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2cccnc2)[nH]c2ccc(I)cc12
InChIInChI=1S/C17H18IN3/c18-13-6-7-16-15(10-13)14(5-1-2-8-19)17(21-16)12-4-3-9-20-11-12/h3-4,6-7,9-11,21H,1-2,5,8,19H2
InChIKeyFOOUIAKLUFGHIX-UHFFFAOYSA-N
XLogP4.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-bromophenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 4021265
4-[2-(3-iodophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 3329272
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 5160195
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3657414
4-[2-(4-butoxyphenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 3953124
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
4-[2-(5-bromo-3-pyridinyl)-5-fluoro-1H-indol-3-yl]butan-1-amine
CID 3359187
4-[2-(2,4-dimethoxyphenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 5031187
4-[2-(4-fluorophenyl)-1H-indol-3-yl]butan-1-amine
CID 3946658
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-[2-(3,4-dichlorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 3602353

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine (CID 3287232) is 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine is NCCCCc1c(-c2cccnc2)[nH]c2ccc(I)cc12.
What is the InChIKey of 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine?
The InChIKey is FOOUIAKLUFGHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18IN3/c18-13-6-7-16-15(10-13)14(5-1-2-8-19)17(21-16)12-4-3-9-20-11-12/h3-4,6-7,9-11,21H,1-2,5,8,19H2.
What are the key properties of 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine?
4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine has a molecular weight of 391.26 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 3287232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).