2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

C22H21N3O — CID 11110676

IUPAC2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21
InChIInChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-13-17(7-8-21(19)25)14-22(26)24-15-16-9-11-23-12-10-16/h3-13H,2,14-15H2,1H3,(H,24,26)
InChIKeyZOTAHNAPXDAJDO-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.07
Rot. Bonds5

About 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 11110676) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID11110676
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21
InChIInChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-13-17(7-8-21(19)25)14-22(26)24-15-16-9-11-23-12-10-16/h3-13H,2,14-15H2,1H3,(H,24,26)
InChIKeyZOTAHNAPXDAJDO-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
CID 143174353
N-(9-ethylcarbazol-3-yl)-2-methyl-3-pyridin-4-ylpropanamide
CID 70240283
N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55789946
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate
CID 7092357
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110774127
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608

Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 11110676) is 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZOTAHNAPXDAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-13-17(7-8-21(19)25)14-22(26)24-15-16-9-11-23-12-10-16/h3-13H,2,14-15H2,1H3,(H,24,26).
What are the key properties of 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 11110676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).