N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide

C22H21N3O — CID 11110677

IUPACN-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide
SMILESCCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21
InChIInChI=1S/C22H21N3O/c1-2-25-20-9-4-3-6-17(20)18-7-5-8-19(22(18)25)24-21(26)11-10-16-12-14-23-15-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,24,26)
InChIKeyCCUHKMTUURSZNA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.78
Rot. Bonds5

About N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide

N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide (PubChem CID 11110677) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide
PubChem CID11110677
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide
SMILESCCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21
InChIInChI=1S/C22H21N3O/c1-2-25-20-9-4-3-6-17(20)18-7-5-8-19(22(18)25)24-21(26)11-10-16-12-14-23-15-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,24,26)
InChIKeyCCUHKMTUURSZNA-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide (CID 11110677) is N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide is CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21.
What is the InChIKey of N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is CCUHKMTUURSZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-25-20-9-4-3-6-17(20)18-7-5-8-19(22(18)25)24-21(26)11-10-16-12-14-23-15-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,24,26).
What are the key properties of N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide?
N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 343.43 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 11110677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).