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

C22H19N3O2 — CID 11824465

IUPACN-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
SMILESCC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C22H19N3O2/c1-15(26)25-20-5-3-2-4-18(20)19-14-17(7-8-21(19)25)24-22(27)9-6-16-10-12-23-13-11-16/h2-5,7-8,10-14H,6,9H2,1H3,(H,24,27)
InChIKeyBLJIZWQCQUDUGF-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.42
Rot. Bonds4

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

N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide (PubChem CID 11824465) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
PubChem CID11824465
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide
SMILESCC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21
InChIInChI=1S/C22H19N3O2/c1-15(26)25-20-5-3-2-4-18(20)19-14-17(7-8-21(19)25)24-22(27)9-6-16-10-12-23-13-11-16/h2-5,7-8,10-14H,6,9H2,1H3,(H,24,27)
InChIKeyBLJIZWQCQUDUGF-UHFFFAOYSA-N
XLogP4.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide (CID 11824465) is N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide is CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21.
What is the InChIKey of N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
The InChIKey is BLJIZWQCQUDUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15(26)25-20-5-3-2-4-18(20)19-14-17(7-8-21(19)25)24-22(27)9-6-16-10-12-23-13-11-16/h2-5,7-8,10-14H,6,9H2,1H3,(H,24,27).
What are the key properties of N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide?
N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide has a molecular weight of 357.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 11824465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).