N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

C19H25N3O — CID 95194960

IUPACN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESCN1CC[C@H](CNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1
InChIInChI=1S/C19H25N3O/c1-22-9-8-13(12-22)11-20-19(23)14-6-7-16-15-4-2-3-5-17(15)21-18(16)10-14/h6-7,10,13,21H,2-5,8-9,11-12H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyVMHMIXGHUPPOHX-CYBMUJFWSA-N
MW311.43 g/mol
LogP2.73
Rot. Bonds3

About N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (PubChem CID 95194960) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
PubChem CID95194960
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESCN1CC[C@H](CNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1
InChIInChI=1S/C19H25N3O/c1-22-9-8-13(12-22)11-20-19(23)14-6-7-16-15-4-2-3-5-17(15)21-18(16)10-14/h6-7,10,13,21H,2-5,8-9,11-12H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyVMHMIXGHUPPOHX-CYBMUJFWSA-N
XLogP2.73
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The IUPAC name of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (CID 95194960) is N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is CN1CC[C@H](CNC(=O)c2ccc3c4c([nH]c3c2)CCCC4)C1.
What is the InChIKey of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The InChIKey is VMHMIXGHUPPOHX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O/c1-22-9-8-13(12-22)11-20-19(23)14-6-7-16-15-4-2-3-5-17(15)21-18(16)10-14/h6-7,10,13,21H,2-5,8-9,11-12H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is sourced from PubChem (CID 95194960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).