4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide

C22H25N3O2 — CID 43042227

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C22H25N3O2/c26-20(18-7-6-16-4-3-5-17(16)14-18)9-11-22(27)24-19-8-10-21(23-15-19)25-12-1-2-13-25/h6-8,10,14-15H,1-5,9,11-13H2,(H,24,27)
InChIKeyRHZBJASQRMXOAH-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.77
Rot. Bonds6

About 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide

4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide (PubChem CID 43042227) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
PubChem CID43042227
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C22H25N3O2/c26-20(18-7-6-16-4-3-5-17(16)14-18)9-11-22(27)24-19-8-10-21(23-15-19)25-12-1-2-13-25/h6-8,10,14-15H,1-5,9,11-13H2,(H,24,27)
InChIKeyRHZBJASQRMXOAH-UHFFFAOYSA-N
XLogP3.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide with MolForge

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Related Compounds

N-(6-amino-3-pyridinyl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119515209
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448
2-(2,3-dihydro-1H-inden-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 43038081
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24610754
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9179823
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide (CID 43042227) is 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide is O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide?
The InChIKey is RHZBJASQRMXOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20(18-7-6-16-4-3-5-17(16)14-18)9-11-22(27)24-19-8-10-21(23-15-19)25-12-1-2-13-25/h6-8,10,14-15H,1-5,9,11-13H2,(H,24,27).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide?
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide has a molecular weight of 363.46 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide is sourced from PubChem (CID 43042227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).