3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide

C22H24N6O — CID 90468568

IUPAC3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
SMILESN#Cc1cccnc1N1CCN(CCCc2c[nH]c3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C22H24N6O/c23-14-17-3-1-7-25-22(17)28-11-9-27(10-12-28)8-2-4-18-15-26-20-6-5-16(21(24)29)13-19(18)20/h1,3,5-7,13,15,26H,2,4,8-12H2,(H2,24,29)
InChIKeyOFCMZUCGZYRKTN-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.29
Rot. Bonds6

About 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide

3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide (PubChem CID 90468568) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
PubChem CID90468568
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
SMILESN#Cc1cccnc1N1CCN(CCCc2c[nH]c3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C22H24N6O/c23-14-17-3-1-7-25-22(17)28-11-9-27(10-12-28)8-2-4-18-15-26-20-6-5-16(21(24)29)13-19(18)20/h1,3,5-7,13,15,26H,2,4,8-12H2,(H2,24,29)
InChIKeyOFCMZUCGZYRKTN-UHFFFAOYSA-N
XLogP2.29
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 90646598
3-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 90468782
3-[3-[4-[4-[(3-cyano-2-pyridinyl)sulfanyl]phenyl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile
CID 118499056
3-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carboxamide
CID 57302731
2-[[5-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-1,6-naphthyridin-2-yl]oxy]acetamide
CID 145234467
3-[4-[4-(4-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936443
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
methyl 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate
CID 15288323
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
3-[4-[4-(3-cyano-4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 11751791

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide (CID 90468568) is 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide is N#Cc1cccnc1N1CCN(CCCc2c[nH]c3ccc(C(N)=O)cc23)CC1.
What is the InChIKey of 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide?
The InChIKey is OFCMZUCGZYRKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c23-14-17-3-1-7-25-22(17)28-11-9-27(10-12-28)8-2-4-18-15-26-20-6-5-16(21(24)29)13-19(18)20/h1,3,5-7,13,15,26H,2,4,8-12H2,(H2,24,29).
What are the key properties of 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide?
3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 90468568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).