N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C24H26N4O2 — CID 52936533

IUPACN-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1
InChIInChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)
InChIKeyPIOIZXPRZMZSES-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.33
Rot. Bonds5

About N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 52936533) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID52936533
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1
InChIInChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29)
InChIKeyPIOIZXPRZMZSES-UHFFFAOYSA-N
XLogP4.33
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 52936533) is N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1.
What is the InChIKey of N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is PIOIZXPRZMZSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-25-20-7-5-6-18(14-20)19-15-22(24(30)26-16-19)27-23(29)17-8-10-21(11-9-17)28-12-3-2-4-13-28/h5-11,14-16,25H,2-4,12-13H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(methylamino)phenyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 52936533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).