5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide

C20H23ClFN5O2 — CID 176560622

IUPAC5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
SMILESNC(=O)c1ccc(N2CCN(C3CCC(c4ccc(Cl)c(=O)[nH]4)C3)CC2)c(F)n1
InChIInChI=1S/C20H23ClFN5O2/c21-14-3-4-15(25-20(14)29)12-1-2-13(11-12)26-7-9-27(10-8-26)17-6-5-16(19(23)28)24-18(17)22/h3-6,12-13H,1-2,7-11H2,(H2,23,28)(H,25,29)
InChIKeyNQQIGKFMJGDIBU-UHFFFAOYSA-N
MW419.89 g/mol
LogP2.12
Rot. Bonds4

About 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide

5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 176560622) has the molecular formula C20H23ClFN5O2 and a molecular weight of 419.89 g/mol. Its IUPAC name is 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
PubChem CID176560622
Molecular FormulaC20H23ClFN5O2
Molecular Weight419.89 g/mol
Exact Mass419.15
IUPAC Name5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
SMILESNC(=O)c1ccc(N2CCN(C3CCC(c4ccc(Cl)c(=O)[nH]4)C3)CC2)c(F)n1
InChIInChI=1S/C20H23ClFN5O2/c21-14-3-4-15(25-20(14)29)12-1-2-13(11-12)26-7-9-27(10-8-26)17-6-5-16(19(23)28)24-18(17)22/h3-6,12-13H,1-2,7-11H2,(H2,23,28)(H,25,29)
InChIKeyNQQIGKFMJGDIBU-UHFFFAOYSA-N
XLogP2.12
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.12
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

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-fluoro-5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964503
6-fluoro-5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-(trihydroxymethyl)pyridine-2-carboxamide
CID 176964568
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
5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964834
5-[4-[3-(8-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 176964668
3-ethyl-6-[(1R,3S)-3-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]cyclopentyl]-1H-pyridin-2-one
CID 176560435
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-[(1S,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964801
5-[4-[5-(5-ethyl-6-oxo-1H-pyrazin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560493
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-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560575

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide (CID 176560622) is 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide is NC(=O)c1ccc(N2CCN(C3CCC(c4ccc(Cl)c(=O)[nH]4)C3)CC2)c(F)n1.
What is the InChIKey of 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
The InChIKey is NQQIGKFMJGDIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN5O2/c21-14-3-4-15(25-20(14)29)12-1-2-13(11-12)26-7-9-27(10-8-26)17-6-5-16(19(23)28)24-18(17)22/h3-6,12-13H,1-2,7-11H2,(H2,23,28)(H,25,29).
What are the key properties of 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide?
5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 419.89 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(5-chloro-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 176560622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).