4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine

C18H21N3 — CID 5160195

IUPAC4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
SMILESCc1cccc2c(CCCCN)c(-c3cccnc3)[nH]c12
InChIInChI=1S/C18H21N3/c1-13-6-4-9-15-16(8-2-3-10-19)18(21-17(13)15)14-7-5-11-20-12-14/h4-7,9,11-12,21H,2-3,8,10,19H2,1H3
InChIKeyLAJLDUIJEAFMLA-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.82
Rot. Bonds5

About 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine

4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine (PubChem CID 5160195) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
PubChem CID5160195
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
SMILESCc1cccc2c(CCCCN)c(-c3cccnc3)[nH]c12
InChIInChI=1S/C18H21N3/c1-13-6-4-9-15-16(8-2-3-10-19)18(21-17(13)15)14-7-5-11-20-12-14/h4-7,9,11-12,21H,2-3,8,10,19H2,1H3
InChIKeyLAJLDUIJEAFMLA-UHFFFAOYSA-N
XLogP3.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
4-[7-methyl-2-(3-phenoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3895862
4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 3287232
7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3762825
4-[2-(2,3-dimethoxyphenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4214505
4-[4-chloro-2-pyridin-3-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4235880
4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4211375
4-[2-(1-benzothiophen-2-yl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3879590
4-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4603225
4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
4-[2-(3-chloro-4-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4689864
4-[7-butan-2-yl-2-(3-chloro-4-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3928393

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine (CID 5160195) is 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine is Cc1cccc2c(CCCCN)c(-c3cccnc3)[nH]c12.
What is the InChIKey of 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine?
The InChIKey is LAJLDUIJEAFMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-6-4-9-15-16(8-2-3-10-19)18(21-17(13)15)14-7-5-11-20-12-14/h4-7,9,11-12,21H,2-3,8,10,19H2,1H3.
What are the key properties of 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine?
4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 5160195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).