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

C22H21N3O — CID 10969955

IUPACN-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
InChIKeySTJCFOPXJIECBK-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.78
Rot. Bonds5

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

N-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide (PubChem CID 10969955) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
PubChem CID10969955
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)
InChIKeySTJCFOPXJIECBK-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-3-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide (CID 10969955) is N-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is STJCFOPXJIECBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
N-(9-ethylcarbazol-3-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-3-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 10969955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).