N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide

C29H29N5O2 — CID 141092687

IUPACN-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C29H29N5O2/c35-28(14-16-32-17-19-33(20-18-32)24-9-3-1-4-10-24)31-27-21-23(26-13-7-8-15-30-26)22-34(29(27)36)25-11-5-2-6-12-25/h1-13,15,21-22H,14,16-20H2,(H,31,35)
InChIKeyMZLXASXLIFJRRI-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.05
Rot. Bonds7

About N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 141092687) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID141092687
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC NameN-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C29H29N5O2/c35-28(14-16-32-17-19-33(20-18-32)24-9-3-1-4-10-24)31-27-21-23(26-13-7-8-15-30-26)22-34(29(27)36)25-11-5-2-6-12-25/h1-13,15,21-22H,14,16-20H2,(H,31,35)
InChIKeyMZLXASXLIFJRRI-UHFFFAOYSA-N
XLogP4.05
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 141092687) is N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)Nc1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.
What is the InChIKey of N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is MZLXASXLIFJRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c35-28(14-16-32-17-19-33(20-18-32)24-9-3-1-4-10-24)31-27-21-23(26-13-7-8-15-30-26)22-34(29(27)36)25-11-5-2-6-12-25/h1-13,15,21-22H,14,16-20H2,(H,31,35).
What are the key properties of N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 479.58 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-phenyl-5-pyridin-2-yl-3-pyridinyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 141092687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).