N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H29N3O — CID 43064788

IUPACN-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCC(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCC1
InChIInChI=1S/C21H29N3O/c1-2-16(24-11-5-6-12-24)14-22-21(25)15-9-10-20-18(13-15)17-7-3-4-8-19(17)23-20/h9-10,13,16,23H,2-8,11-12,14H2,1H3,(H,22,25)
InChIKeyXAOLOFLTNLPGAV-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.65
Rot. Bonds5

About N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 43064788) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID43064788
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCC(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCC1
InChIInChI=1S/C21H29N3O/c1-2-16(24-11-5-6-12-24)14-22-21(25)15-9-10-20-18(13-15)17-7-3-4-8-19(17)23-20/h9-10,13,16,23H,2-8,11-12,14H2,1H3,(H,22,25)
InChIKeyXAOLOFLTNLPGAV-UHFFFAOYSA-N
XLogP3.65
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 32687068
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 51185250
3-iodo-N-[(2S)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658000
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658006
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71929435

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 43064788) is N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCC(CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is XAOLOFLTNLPGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-2-16(24-11-5-6-12-24)14-22-21(25)15-9-10-20-18(13-15)17-7-3-4-8-19(17)23-20/h9-10,13,16,23H,2-8,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 43064788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).