5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide

C25H30N4O3 — CID 154852515

IUPAC5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide
SMILESNC(=O)CCC(NC(=O)CCCc1ccccc1)C(=O)N1CCC=C(c2ccccn2)C1
InChIInChI=1S/C25H30N4O3/c26-23(30)15-14-22(28-24(31)13-6-10-19-8-2-1-3-9-19)25(32)29-17-7-11-20(18-29)21-12-4-5-16-27-21/h1-5,8-9,11-12,16,22H,6-7,10,13-15,17-18H2,(H2,26,30)(H,28,31)
InChIKeyVTSGUAVORDXKJN-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.47
Rot. Bonds10

About 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide

5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide (PubChem CID 154852515) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide.

Molecular Properties

Compound Name5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide
PubChem CID154852515
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide
SMILESNC(=O)CCC(NC(=O)CCCc1ccccc1)C(=O)N1CCC=C(c2ccccn2)C1
InChIInChI=1S/C25H30N4O3/c26-23(30)15-14-22(28-24(31)13-6-10-19-8-2-1-3-9-19)25(32)29-17-7-11-20(18-29)21-12-4-5-16-27-21/h1-5,8-9,11-12,16,22H,6-7,10,13-15,17-18H2,(H2,26,30)(H,28,31)
InChIKeyVTSGUAVORDXKJN-UHFFFAOYSA-N
XLogP2.47
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide?
The IUPAC name of 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide (CID 154852515) is 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide.
What is the SMILES notation for 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide?
The canonical SMILES for 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide is NC(=O)CCC(NC(=O)CCCc1ccccc1)C(=O)N1CCC=C(c2ccccn2)C1.
What is the InChIKey of 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide?
The InChIKey is VTSGUAVORDXKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c26-23(30)15-14-22(28-24(31)13-6-10-19-8-2-1-3-9-19)25(32)29-17-7-11-20(18-29)21-12-4-5-16-27-21/h1-5,8-9,11-12,16,22H,6-7,10,13-15,17-18H2,(H2,26,30)(H,28,31).
What are the key properties of 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide?
5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide has a molecular weight of 434.54 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-(4-phenylbutanoylamino)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)pentanamide is sourced from PubChem (CID 154852515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).