9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide

C22H21N3O — CID 10958843

IUPAC9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide
SMILESCCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21
InChIInChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(7-8-21(19)25)22(26)24-14-11-16-9-12-23-13-10-16/h3-10,12-13,15H,2,11,14H2,1H3,(H,24,26)
InChIKeyIOFIZWDNAAFVLM-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.18
Rot. Bonds5

About 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide

9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide (PubChem CID 10958843) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide.

Molecular Properties

Compound Name9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide
PubChem CID10958843
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide
SMILESCCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21
InChIInChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(7-8-21(19)25)22(26)24-14-11-16-9-12-23-13-10-16/h3-10,12-13,15H,2,11,14H2,1H3,(H,24,26)
InChIKeyIOFIZWDNAAFVLM-UHFFFAOYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide?
The IUPAC name of 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide (CID 10958843) is 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide.
What is the SMILES notation for 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide?
The canonical SMILES for 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide is CCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21.
What is the InChIKey of 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide?
The InChIKey is IOFIZWDNAAFVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(7-8-21(19)25)22(26)24-14-11-16-9-12-23-13-10-16/h3-10,12-13,15H,2,11,14H2,1H3,(H,24,26).
What are the key properties of 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide?
9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-(2-pyridin-4-ylethyl)carbazole-3-carboxamide is sourced from PubChem (CID 10958843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).