3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide

C28H30N4O3 — CID 162371146

IUPAC3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)NC(C)C(=O)N2CC=CCC2c2cnc3ccccc3c2)c1
InChIInChI=1S/C28H30N4O3/c1-3-9-26(33)31-23-12-8-11-21(17-23)27(34)30-19(2)28(35)32-15-7-6-14-25(32)22-16-20-10-4-5-13-24(20)29-18-22/h4-8,10-13,16-19,25H,3,9,14-15H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyFKBYPSFOHWGHIL-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.62
Rot. Bonds7

About 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide

3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide (PubChem CID 162371146) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide
PubChem CID162371146
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)NC(C)C(=O)N2CC=CCC2c2cnc3ccccc3c2)c1
InChIInChI=1S/C28H30N4O3/c1-3-9-26(33)31-23-12-8-11-21(17-23)27(34)30-19(2)28(35)32-15-7-6-14-25(32)22-16-20-10-4-5-13-24(20)29-18-22/h4-8,10-13,16-19,25H,3,9,14-15H2,1-2H3,(H,30,34)(H,31,33)
InChIKeyFKBYPSFOHWGHIL-UHFFFAOYSA-N
XLogP4.62
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide (CID 162371146) is 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide is CCCC(=O)Nc1cccc(C(=O)NC(C)C(=O)N2CC=CCC2c2cnc3ccccc3c2)c1.
What is the InChIKey of 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide?
The InChIKey is FKBYPSFOHWGHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-3-9-26(33)31-23-12-8-11-21(17-23)27(34)30-19(2)28(35)32-15-7-6-14-25(32)22-16-20-10-4-5-13-24(20)29-18-22/h4-8,10-13,16-19,25H,3,9,14-15H2,1-2H3,(H,30,34)(H,31,33).
What are the key properties of 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide?
3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-[1-oxo-1-(2-quinolin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 162371146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).