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

C26H30N4O2 — CID 56548048

IUPACN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)Nc4ccccc4CN4CCCC4C(N)=O)cccc3c2C1
InChIInChI=1S/C26H30N4O2/c1-16-11-12-22-20(14-16)18-7-4-8-19(24(18)28-22)26(32)29-21-9-3-2-6-17(21)15-30-13-5-10-23(30)25(27)31/h2-4,6-9,16,23,28H,5,10-15H2,1H3,(H2,27,31)(H,29,32)
InChIKeyHHPZNZRCDIGTET-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.99
Rot. Bonds5

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

N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 56548048) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID56548048
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)Nc4ccccc4CN4CCCC4C(N)=O)cccc3c2C1
InChIInChI=1S/C26H30N4O2/c1-16-11-12-22-20(14-16)18-7-4-8-19(24(18)28-22)26(32)29-21-9-3-2-6-17(21)15-30-13-5-10-23(30)25(27)31/h2-4,6-9,16,23,28H,5,10-15H2,1H3,(H2,27,31)(H,29,32)
InChIKeyHHPZNZRCDIGTET-UHFFFAOYSA-N
XLogP3.99
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523381
6-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60549922
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86886899
6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 71685691
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
6-methyl-N-(oxan-2-yloxy)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 51130596
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 56548048) is N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC1CCc2[nH]c3c(C(=O)Nc4ccccc4CN4CCCC4C(N)=O)cccc3c2C1.
What is the InChIKey of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is HHPZNZRCDIGTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-16-11-12-22-20(14-16)18-7-4-8-19(24(18)28-22)26(32)29-21-9-3-2-6-17(21)15-30-13-5-10-23(30)25(27)31/h2-4,6-9,16,23,28H,5,10-15H2,1H3,(H2,27,31)(H,29,32).
What are the key properties of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 56548048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).