2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide

C16H21N3O — CID 59934224

IUPAC2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide
SMILESCCN1CCc2c(c3ccccc3n2CC)C1C(N)=O
InChIInChI=1S/C16H21N3O/c1-3-18-10-9-13-14(15(18)16(17)20)11-7-5-6-8-12(11)19(13)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H2,17,20)
InChIKeyNGBBZFLAZJHVRJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.07
Rot. Bonds3

About 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide

2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide (PubChem CID 59934224) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide.

Molecular Properties

Compound Name2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide
PubChem CID59934224
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide
SMILESCCN1CCc2c(c3ccccc3n2CC)C1C(N)=O
InChIInChI=1S/C16H21N3O/c1-3-18-10-9-13-14(15(18)16(17)20)11-7-5-6-8-12(11)19(13)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H2,17,20)
InChIKeyNGBBZFLAZJHVRJ-UHFFFAOYSA-N
XLogP2.07
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide?
The IUPAC name of 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide (CID 59934224) is 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide.
What is the SMILES notation for 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide?
The canonical SMILES for 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide is CCN1CCc2c(c3ccccc3n2CC)C1C(N)=O.
What is the InChIKey of 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide?
The InChIKey is NGBBZFLAZJHVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-18-10-9-13-14(15(18)16(17)20)11-7-5-6-8-12(11)19(13)4-2/h5-8,15H,3-4,9-10H2,1-2H3,(H2,17,20).
What are the key properties of 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide?
2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide is sourced from PubChem (CID 59934224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).