5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C22H28N6O3 — CID 176560594

IUPAC5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1ccc(N2CCC(N3CCN(c4ccc(C(=O)NC)nc4)CC3)C2=O)[nH]c1=O
InChIInChI=1S/C22H28N6O3/c1-3-15-4-7-19(25-20(15)29)28-9-8-18(22(28)31)27-12-10-26(11-13-27)16-5-6-17(24-14-16)21(30)23-2/h4-7,14,18H,3,8-13H2,1-2H3,(H,23,30)(H,25,29)
InChIKeyXNSOWSFNQJYSPI-UHFFFAOYSA-N
MW424.51 g/mol
LogP0.62
Rot. Bonds5

About 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 176560594) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID176560594
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1ccc(N2CCC(N3CCN(c4ccc(C(=O)NC)nc4)CC3)C2=O)[nH]c1=O
InChIInChI=1S/C22H28N6O3/c1-3-15-4-7-19(25-20(15)29)28-9-8-18(22(28)31)27-12-10-26(11-13-27)16-5-6-17(24-14-16)21(30)23-2/h4-7,14,18H,3,8-13H2,1-2H3,(H,23,30)(H,25,29)
InChIKeyXNSOWSFNQJYSPI-UHFFFAOYSA-N
XLogP0.62
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149082
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171812237
CID 166088951
CID 166088951
5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560514
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560575
5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide
CID 176560476
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560553
N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964726
5-[4-[(7-ethyl-6-oxo-5H-pyrido[3,2-c]pyridazin-3-yl)methyl]-3-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170058815
ethane;5-[4-[3-(5-ethyl-6-methoxy-2-pyridinyl)cyclopent-2-en-1-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560444

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 176560594) is 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCc1ccc(N2CCC(N3CCN(c4ccc(C(=O)NC)nc4)CC3)C2=O)[nH]c1=O.
What is the InChIKey of 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is XNSOWSFNQJYSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-3-15-4-7-19(25-20(15)29)28-9-8-18(22(28)31)27-12-10-26(11-13-27)16-5-6-17(24-14-16)21(30)23-2/h4-7,14,18H,3,8-13H2,1-2H3,(H,23,30)(H,25,29).
What are the key properties of 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176560594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).