N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide

C25H29N5O3 — CID 159039079

IUPACN-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide
SMILESCCc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCCN4CCNCC4)cc3)c2)n1
InChIInChI=1S/C25H29N5O3/c1-2-20-4-3-5-22(28-20)19-16-23(25(32)27-17-19)29-24(31)18-6-8-21(9-7-18)33-15-14-30-12-10-26-11-13-30/h3-9,16-17,26H,2,10-15H2,1H3,(H,27,32)(H,29,31)
InChIKeyXYXXQLKUONODSW-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.54
Rot. Bonds8

About N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide

N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide (PubChem CID 159039079) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide
PubChem CID159039079
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide
SMILESCCc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCCN4CCNCC4)cc3)c2)n1
InChIInChI=1S/C25H29N5O3/c1-2-20-4-3-5-22(28-20)19-16-23(25(32)27-17-19)29-24(31)18-6-8-21(9-7-18)33-15-14-30-12-10-26-11-13-30/h3-9,16-17,26H,2,10-15H2,1H3,(H,27,32)(H,29,31)
InChIKeyXYXXQLKUONODSW-UHFFFAOYSA-N
XLogP2.54
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(6-ethylpyrazin-2-yl)-2-oxo-1H-pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 158694746
N-[5-(2-ethylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-phenylmethoxybenzamide
CID 148543420
4-tert-butyl-N-[2-oxo-5-(2-piperazin-1-ylpyrimidin-4-yl)-1H-pyridin-3-yl]benzamide
CID 11510298
N-[5-(4-amino-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-[6-(cyclopentylmethyl)-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(2-ethyl-4-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide;N-[5-(4-methyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 159062944
N-[5-[6-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 58692637
N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 90261360
N-[5-(2-ethyl-6-methylpyrimidin-4-yl)-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
CID 157077016
4-[2-(diethylamino)ethoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119448581
4-tert-butyl-N-[5-[2-[2-(methylamino)ethylamino]pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]benzamide
CID 11718719
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide?
The IUPAC name of N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide (CID 159039079) is N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide?
The canonical SMILES for N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide is CCc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(OCCN4CCNCC4)cc3)c2)n1.
What is the InChIKey of N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide?
The InChIKey is XYXXQLKUONODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-2-20-4-3-5-22(28-20)19-16-23(25(32)27-17-19)29-24(31)18-6-8-21(9-7-18)33-15-14-30-12-10-26-11-13-30/h3-9,16-17,26H,2,10-15H2,1H3,(H,27,32)(H,29,31).
What are the key properties of N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide?
N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide has a molecular weight of 447.54 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethyl-2-pyridinyl)-2-oxo-1H-pyridin-3-yl]-4-(2-piperazin-1-ylethoxy)benzamide is sourced from PubChem (CID 159039079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).