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

C24H32FN5O2 — CID 176560384

IUPACN-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN([C@H]3CC[C@@H](c4ccc(CC)c(=O)[nH]4)C3)CC2)c(F)n1
InChIInChI=1S/C24H32FN5O2/c1-3-16-6-8-19(28-23(16)31)17-5-7-18(15-17)29-11-13-30(14-12-29)21-10-9-20(27-22(21)25)24(32)26-4-2/h6,8-10,17-18H,3-5,7,11-15H2,1-2H3,(H,26,32)(H,28,31)/t17-,18+/m1/s1
InChIKeyBFIOPLFGUYAIKX-MSOLQXFVSA-N
MW441.55 g/mol
LogP2.68
Rot. Bonds6

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

N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 176560384) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
PubChem CID176560384
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC NameN-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCN([C@H]3CC[C@@H](c4ccc(CC)c(=O)[nH]4)C3)CC2)c(F)n1
InChIInChI=1S/C24H32FN5O2/c1-3-16-6-8-19(28-23(16)31)17-5-7-18(15-17)29-11-13-30(14-12-29)21-10-9-20(27-22(21)25)24(32)26-4-2/h6,8-10,17-18H,3-5,7,11-15H2,1-2H3,(H,26,32)(H,28,31)/t17-,18+/m1/s1
InChIKeyBFIOPLFGUYAIKX-MSOLQXFVSA-N
XLogP2.68
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
N-(2,2-difluoroethyl)-5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169149184
5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560622
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-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560575
6-fluoro-5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964503
3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
CID 176560435
6-fluoro-N-methyl-5-[4-[3-(6-oxo-5-propyl-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148659
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
6-fluoro-5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-(trihydroxymethyl)pyridine-2-carboxamide
CID 176964568
5-[4-[5-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560737
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of 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) is N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide is CCNC(=O)c1ccc(N2CCN([C@H]3CC[C@@H](c4ccc(CC)c(=O)[nH]4)C3)CC2)c(F)n1.
What is the InChIKey of N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The InChIKey is BFIOPLFGUYAIKX-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-3-16-6-8-19(28-23(16)31)17-5-7-18(15-17)29-11-13-30(14-12-29)21-10-9-20(27-22(21)25)24(32)26-4-2/h6,8-10,17-18H,3-5,7,11-15H2,1-2H3,(H,26,32)(H,28,31)/t17-,18+/m1/s1.
What are the key properties of N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 441.55 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 176560384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).