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

C17H18ClN3 — CID 3657414

IUPAC4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2ccncc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H18ClN3/c18-13-4-5-16-15(11-13)14(3-1-2-8-19)17(21-16)12-6-9-20-10-7-12/h4-7,9-11,21H,1-3,8,19H2
InChIKeySBRRHWPJOVIJLP-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.16
Rot. Bonds5

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

4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine (PubChem CID 3657414) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
PubChem CID3657414
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
SMILESNCCCCc1c(-c2ccncc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H18ClN3/c18-13-4-5-16-15(11-13)14(3-1-2-8-19)17(21-16)12-6-9-20-10-7-12/h4-7,9-11,21H,1-3,8,19H2
InChIKeySBRRHWPJOVIJLP-UHFFFAOYSA-N
XLogP4.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.16
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-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921
4-[5-chloro-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3990175
4-[5-chloro-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3892528
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
3-(4-aminobutyl)-2-(4-chlorophenyl)-1H-indole-5-carbonitrile
CID 3688893
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-[2-(3,4-dichlorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 3602353
4-(5-iodo-2-pyridin-3-yl-1H-indol-3-yl)butan-1-amine
CID 3287232
4-(5,7-difluoro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 3992198
4-[5-bromo-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 4039818
4-(4,7-dichloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine
CID 5228525
4-[5-chloro-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5099960

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine (CID 3657414) is 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine is NCCCCc1c(-c2ccncc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
The InChIKey is SBRRHWPJOVIJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c18-13-4-5-16-15(11-13)14(3-1-2-8-19)17(21-16)12-6-9-20-10-7-12/h4-7,9-11,21H,1-3,8,19H2.
What are the key properties of 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine?
4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine has a molecular weight of 299.81 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 3657414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).