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

C24H32FN5O2 — CID 176560476

IUPAC5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide
SMILESCCc1ccc([C@@H]2CC[C@H](N3CCN(c4ccc(C(=O)NCCF)nc4)CC3)C2)[nH]c1=O
InChIInChI=1S/C24H32FN5O2/c1-2-17-4-7-21(28-23(17)31)18-3-5-19(15-18)29-11-13-30(14-12-29)20-6-8-22(27-16-20)24(32)26-10-9-25/h4,6-8,16,18-19H,2-3,5,9-15H2,1H3,(H,26,32)(H,28,31)/t18-,19+/m1/s1
InChIKeySZPOWCLURBPYLO-MOPGFXCFSA-N
MW441.55 g/mol
LogP2.49
Rot. Bonds7

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

5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide (PubChem CID 176560476) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide
PubChem CID176560476
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC Name5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide
SMILESCCc1ccc([C@@H]2CC[C@H](N3CCN(c4ccc(C(=O)NCCF)nc4)CC3)C2)[nH]c1=O
InChIInChI=1S/C24H32FN5O2/c1-2-17-4-7-21(28-23(17)31)18-3-5-19(15-18)29-11-13-30(14-12-29)20-6-8-22(27-16-20)24(32)26-10-9-25/h4,6-8,16,18-19H,2-3,5,9-15H2,1H3,(H,26,32)(H,28,31)/t18-,19+/m1/s1
InChIKeySZPOWCLURBPYLO-MOPGFXCFSA-N
XLogP2.49
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 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) is 5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide is CCc1ccc([C@@H]2CC[C@H](N3CCN(c4ccc(C(=O)NCCF)nc4)CC3)C2)[nH]c1=O.
What is the InChIKey of 5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide?
The InChIKey is SZPOWCLURBPYLO-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-2-17-4-7-21(28-23(17)31)18-3-5-19(15-18)29-11-13-30(14-12-29)20-6-8-22(27-16-20)24(32)26-10-9-25/h4,6-8,16,18-19H,2-3,5,9-15H2,1H3,(H,26,32)(H,28,31)/t18-,19+/m1/s1.
What are the key properties of 5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide?
5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 176560476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).