5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

C24H25Cl2N5O — CID 10367438

IUPAC5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESN#Cc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1
InChIInChI=1S/C24H25Cl2N5O/c25-19-4-3-5-22(23(19)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)21-15-18-14-17(16-27)6-7-20(18)29-21/h3-7,14-15,29H,1-2,8-13H2,(H,28,32)
InChIKeyZYAJMPAYSHYJKT-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.68
Rot. Bonds7

About 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 10367438) has the molecular formula C24H25Cl2N5O and a molecular weight of 470.40 g/mol. Its IUPAC name is 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
PubChem CID10367438
Molecular FormulaC24H25Cl2N5O
Molecular Weight470.40 g/mol
Exact Mass469.14
IUPAC Name5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESN#Cc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1
InChIInChI=1S/C24H25Cl2N5O/c25-19-4-3-5-22(23(19)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)21-15-18-14-17(16-27)6-7-20(18)29-21/h3-7,14-15,29H,1-2,8-13H2,(H,28,32)
InChIKeyZYAJMPAYSHYJKT-UHFFFAOYSA-N
XLogP4.68
TPSA75.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5-[(Z)-ethylideneamino]-4-methyl-1H-pyrrole-2-carboxamide
CID 143226888
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202834
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
CID 10873956
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
CID 10498094
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
CID 11568598
N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide
CID 165112161
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 58358816
ethyl 5-[(5-cyano-1H-indole-2-carbonyl)amino]pentanoate
CID 10805139
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11662289
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 45279481
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (CID 10367438) is 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is N#Cc1ccc2[nH]c(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1.
What is the InChIKey of 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is ZYAJMPAYSHYJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O/c25-19-4-3-5-22(23(19)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)21-15-18-14-17(16-27)6-7-20(18)29-21/h3-7,14-15,29H,1-2,8-13H2,(H,28,32).
What are the key properties of 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 470.40 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10367438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).