3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide

C24H27N3O — CID 19786689

IUPAC3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cccc2c(CCCCC3CC(c4ccccc4)=CCN3)c[nH]c12
InChIInChI=1S/C24H27N3O/c25-24(28)22-12-6-11-21-19(16-27-23(21)22)9-4-5-10-20-15-18(13-14-26-20)17-7-2-1-3-8-17/h1-3,6-8,11-13,16,20,26-27H,4-5,9-10,14-15H2,(H2,25,28)
InChIKeyPXTGCSMELSFFJV-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.43
Rot. Bonds7

About 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide

3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide (PubChem CID 19786689) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide
PubChem CID19786689
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1cccc2c(CCCCC3CC(c4ccccc4)=CCN3)c[nH]c12
InChIInChI=1S/C24H27N3O/c25-24(28)22-12-6-11-21-19(16-27-23(21)22)9-4-5-10-20-15-18(13-14-26-20)17-7-2-1-3-8-17/h1-3,6-8,11-13,16,20,26-27H,4-5,9-10,14-15H2,(H2,25,28)
InChIKeyPXTGCSMELSFFJV-UHFFFAOYSA-N
XLogP4.43
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-6-carboxylic acid;hydrochloride
CID 67883034
7-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
CID 54353975
[3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indol-7-yl] hydrogen carbonate
CID 70412998
ethyl [5-hydroxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412498
ethyl [5-methoxy-3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-yl] carbonate
CID 70412162
7-bromo-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 19848943
2-(4-chlorobutyl)-4-phenyl-1,2,3,6-tetrahydropyridine
CID 142648598
[3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indol-4-yl]methanol
CID 19786779
methyl 7-chloro-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-4-carboxylate
CID 19786774
[7-chloro-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indol-4-yl] hydrogen carbonate
CID 70412354
3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indol-6-ol
CID 19848882
5,6-dichloro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 19848911

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide?
The IUPAC name of 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide (CID 19786689) is 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide?
The canonical SMILES for 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide is NC(=O)c1cccc2c(CCCCC3CC(c4ccccc4)=CCN3)c[nH]c12.
What is the InChIKey of 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide?
The InChIKey is PXTGCSMELSFFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c25-24(28)22-12-6-11-21-19(16-27-23(21)22)9-4-5-10-20-15-18(13-14-26-20)17-7-2-1-3-8-17/h1-3,6-8,11-13,16,20,26-27H,4-5,9-10,14-15H2,(H2,25,28).
What are the key properties of 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide?
3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 19786689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).