5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide

C25H33N5O3 — CID 176560553

IUPAC5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
SMILESCCc1ccc(C2CCC(N3CCN(c4ccc(C(=O)NC5COC5)nc4)CC3)C2)[nH]c1=O
InChIInChI=1S/C25H33N5O3/c1-2-17-4-7-22(28-24(17)31)18-3-5-20(13-18)29-9-11-30(12-10-29)21-6-8-23(26-14-21)25(32)27-19-15-33-16-19/h4,6-8,14,18-20H,2-3,5,9-13,15-16H2,1H3,(H,27,32)(H,28,31)
InChIKeyIPUDXGBGNKUVBE-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.92
Rot. Bonds6

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

5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide (PubChem CID 176560553) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
PubChem CID176560553
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
SMILESCCc1ccc(C2CCC(N3CCN(c4ccc(C(=O)NC5COC5)nc4)CC3)C2)[nH]c1=O
InChIInChI=1S/C25H33N5O3/c1-2-17-4-7-22(28-24(17)31)18-3-5-20(13-18)29-9-11-30(12-10-29)21-6-8-23(26-14-21)25(32)27-19-15-33-16-19/h4,6-8,14,18-20H,2-3,5,9-13,15-16H2,1H3,(H,27,32)(H,28,31)
InChIKeyIPUDXGBGNKUVBE-UHFFFAOYSA-N
XLogP1.92
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560627
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
6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560429
3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
CID 176560435
N-methyl-5-[4-[(1R,3R)-3-(5-oxo-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-7-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964547
N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560384
6-[(1R,3S)-3-[4-[6-[amino-[[(Z)-1-fluoroprop-1-enyl]-methylamino]methyl]-3-pyridinyl]piperazin-1-yl]cyclopentyl]-3-ethyl-1H-pyridin-2-one
CID 176560393
5-[4-[(1S,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964801
3-ethyl-6-[(1R,3R)-3-[4-[5-[(methylideneamino)methyl]pyrimidin-2-yl]piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
CID 176560639
5-[2-[1-[(1R,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperidin-4-yl]ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 176560723
5-[5-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]-2-hydroxy-5,8-diazaspiro[3.5]nonan-8-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 170263566
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560594

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide (CID 176560553) is 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide is CCc1ccc(C2CCC(N3CCN(c4ccc(C(=O)NC5COC5)nc4)CC3)C2)[nH]c1=O.
What is the InChIKey of 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?
The InChIKey is IPUDXGBGNKUVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-2-17-4-7-22(28-24(17)31)18-3-5-20(13-18)29-9-11-30(12-10-29)21-6-8-23(26-14-21)25(32)27-19-15-33-16-19/h4,6-8,14,18-20H,2-3,5,9-13,15-16H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide?
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176560553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).