N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide

C27H26N4O2 — CID 19006871

IUPACN-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C(C1CCCN1C(=O)Nc1ccc2ccccc2c1)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C27H26N4O2/c32-26(30-15-13-22-21-8-3-4-9-23(21)29-24(22)17-30)25-10-5-14-31(25)27(33)28-20-12-11-18-6-1-2-7-19(18)16-20/h1-4,6-9,11-12,16,25,29H,5,10,13-15,17H2,(H,28,33)
InChIKeySNGVDTHAYBUBBZ-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.90
Rot. Bonds2

About N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide

N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide (PubChem CID 19006871) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide
PubChem CID19006871
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide
SMILESO=C(C1CCCN1C(=O)Nc1ccc2ccccc2c1)N1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C27H26N4O2/c32-26(30-15-13-22-21-8-3-4-9-23(21)29-24(22)17-30)25-10-5-14-31(25)27(33)28-20-12-11-18-6-1-2-7-19(18)16-20/h1-4,6-9,11-12,16,25,29H,5,10,13-15,17H2,(H,28,33)
InChIKeySNGVDTHAYBUBBZ-UHFFFAOYSA-N
XLogP4.90
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.90
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-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide (CID 19006871) is N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide is O=C(C1CCCN1C(=O)Nc1ccc2ccccc2c1)N1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide?
The InChIKey is SNGVDTHAYBUBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c32-26(30-15-13-22-21-8-3-4-9-23(21)29-24(22)17-30)25-10-5-14-31(25)27(33)28-20-12-11-18-6-1-2-7-19(18)16-20/h1-4,6-9,11-12,16,25,29H,5,10,13-15,17H2,(H,28,33).
What are the key properties of N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide?
N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 19006871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).