N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H23N5O — CID 52986929

IUPACN-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC1CC(c2cccnc2)NN1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H23N5O/c27-21(24-20-11-19(25-26-20)14-4-3-9-22-12-14)13-7-8-18-16(10-13)15-5-1-2-6-17(15)23-18/h3-4,7-10,12,19-20,23,25-26H,1-2,5-6,11H2,(H,24,27)
InChIKeyUYZKOCNVVCFWRQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.74
Rot. Bonds3

About N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 52986929) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID52986929
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESO=C(NC1CC(c2cccnc2)NN1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C21H23N5O/c27-21(24-20-11-19(25-26-20)14-4-3-9-22-12-14)13-7-8-18-16(10-13)15-5-1-2-6-17(15)23-18/h3-4,7-10,12,19-20,23,25-26H,1-2,5-6,11H2,(H,24,27)
InChIKeyUYZKOCNVVCFWRQ-UHFFFAOYSA-N
XLogP2.74
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 52986929) is N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is O=C(NC1CC(c2cccnc2)NN1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is UYZKOCNVVCFWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(24-20-11-19(25-26-20)14-4-3-9-22-12-14)13-7-8-18-16(10-13)15-5-1-2-6-17(15)23-18/h3-4,7-10,12,19-20,23,25-26H,1-2,5-6,11H2,(H,24,27).
What are the key properties of N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-ylpyrazolidin-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 52986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).