4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine

C18H20ClN3 — CID 3574352

IUPAC4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine
SMILESCc1cc(Cl)cc2c(CCCCN)c(-c3ccccn3)[nH]c12
InChIInChI=1S/C18H20ClN3/c1-12-10-13(19)11-15-14(6-2-4-8-20)18(22-17(12)15)16-7-3-5-9-21-16/h3,5,7,9-11,22H,2,4,6,8,20H2,1H3
InChIKeyRYDXDYYTKTYMTO-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.47
Rot. Bonds5

About 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine

4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine (PubChem CID 3574352) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine
PubChem CID3574352
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine
SMILESCc1cc(Cl)cc2c(CCCCN)c(-c3ccccn3)[nH]c12
InChIInChI=1S/C18H20ClN3/c1-12-10-13(19)11-15-14(6-2-4-8-20)18(22-17(12)15)16-7-3-5-9-21-16/h3,5,7,9-11,22H,2,4,6,8,20H2,1H3
InChIKeyRYDXDYYTKTYMTO-UHFFFAOYSA-N
XLogP4.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-chloro-2-pyridin-2-yl-7-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 3981859
4-[5-chloro-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5099960
4-[5-chloro-2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3574598
4-[5-chloro-7-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-3-yl]butan-1-amine
CID 3892985
4-[2-(3-chloro-2-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3434232
3-(2-pyridin-2-yl-1H-indol-3-yl)propan-1-amine
CID 170868095
4-(5,7-dichloro-2-phenyl-1H-indol-3-yl)butan-1-amine
CID 3460456
4-[2-(3-chloro-4-pyridinyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4689864
4-[2-(5-bromo-2-methoxyphenyl)-5-chloro-7-methyl-1H-indol-3-yl]butan-1-amine
CID 3561539
4-[5-chloro-2-(2-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 3665448
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N,N-dimethylbutanamide
CID 18832951
4-[5,7-dichloro-2-(2-methoxy-3-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4222400

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine?
The IUPAC name of 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine (CID 3574352) is 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine?
The canonical SMILES for 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine is Cc1cc(Cl)cc2c(CCCCN)c(-c3ccccn3)[nH]c12.
What is the InChIKey of 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine?
The InChIKey is RYDXDYYTKTYMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-12-10-13(19)11-15-14(6-2-4-8-20)18(22-17(12)15)16-7-3-5-9-21-16/h3,5,7,9-11,22H,2,4,6,8,20H2,1H3.
What are the key properties of 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine?
4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine has a molecular weight of 313.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-7-methyl-2-pyridin-2-yl-1H-indol-3-yl)butan-1-amine is sourced from PubChem (CID 3574352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).