5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide

C22H19N3O2 — CID 57183288

IUPAC5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCCCc3c(C(N)=O)cc4occcc3-4)c2c1
InChIInChI=1S/C22H19N3O2/c23-12-14-7-8-20-18(10-14)15(13-25-20)4-1-2-5-16-17-6-3-9-27-21(17)11-19(16)22(24)26/h3,6-11,13,25H,1-2,4-5H2,(H2,24,26)
InChIKeyYWNPGQLKOVARER-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.40
Rot. Bonds6

About 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide

5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide (PubChem CID 57183288) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide.

Molecular Properties

Compound Name5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide
PubChem CID57183288
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCCCc3c(C(N)=O)cc4occcc3-4)c2c1
InChIInChI=1S/C22H19N3O2/c23-12-14-7-8-20-18(10-14)15(13-25-20)4-1-2-5-16-17-6-3-9-27-21(17)11-19(16)22(24)26/h3,6-11,13,25H,1-2,4-5H2,(H2,24,26)
InChIKeyYWNPGQLKOVARER-UHFFFAOYSA-N
XLogP4.40
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-oxopentyl)-1H-indole-5-carbonitrile
CID 90054583
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
3-[4-[4-(2-benzofuran-5-yl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile;oxamide;hydrochloride
CID 141371465
2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 90646598
5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide
CID 69143814
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfuric acid
CID 73389306
(3S)-3-[3-(5-cyano-1H-indol-3-yl)propyl-cyclobutylamino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
CID 25138744
3-[4-[4-(2-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
CID 10293352
5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride
CID 67301217
3-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carbonitrile;oxalic acid
CID 18382024
ethyl 2-[2-[4-(5-cyano-1H-indol-3-yl)butyl-methylamino]ethyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 141414299
ethyl 2-[4-[3-(5-cyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 90646796

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide?
The IUPAC name of 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide (CID 57183288) is 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide.
What is the SMILES notation for 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide?
The canonical SMILES for 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide is N#Cc1ccc2[nH]cc(CCCCc3c(C(N)=O)cc4occcc3-4)c2c1.
What is the InChIKey of 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide?
The InChIKey is YWNPGQLKOVARER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-12-14-7-8-20-18(10-14)15(13-25-20)4-1-2-5-16-17-6-3-9-27-21(17)11-19(16)22(24)26/h3,6-11,13,25H,1-2,4-5H2,(H2,24,26).
What are the key properties of 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide?
5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-cyano-1H-indol-3-yl)butyl]cyclopenta[b]pyran-6-carboxamide is sourced from PubChem (CID 57183288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).