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

C23H31FN6O2 — CID 176560575

IUPAC5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1ccc(N2CCC(N3CCN(c4ccc(C(=O)NC)nc4F)CC3)CC2)[nH]c1=O
InChIInChI=1S/C23H31FN6O2/c1-3-16-4-7-20(27-22(16)31)30-10-8-17(9-11-30)28-12-14-29(15-13-28)19-6-5-18(23(32)25-2)26-21(19)24/h4-7,17H,3,8-15H2,1-2H3,(H,25,32)(H,27,31)
InChIKeyIBGSNVWHKBBRNM-UHFFFAOYSA-N
MW442.54 g/mol
LogP1.62
Rot. Bonds5

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

5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 176560575) has the molecular formula C23H31FN6O2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
PubChem CID176560575
Molecular FormulaC23H31FN6O2
Molecular Weight442.54 g/mol
Exact Mass442.25
IUPAC Name5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
SMILESCCc1ccc(N2CCC(N3CCN(c4ccc(C(=O)NC)nc4F)CC3)CC2)[nH]c1=O
InChIInChI=1S/C23H31FN6O2/c1-3-16-4-7-20(27-22(16)31)30-10-8-17(9-11-30)28-12-14-29(15-13-28)19-6-5-18(23(32)25-2)26-21(19)24/h4-7,17H,3,8-15H2,1-2H3,(H,25,32)(H,27,31)
InChIKeyIBGSNVWHKBBRNM-UHFFFAOYSA-N
XLogP1.62
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
5-[4-[5-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560400
5-[4-[1-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-bicyclo[3.1.0]hexanyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560632
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
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
6-fluoro-5-[4-[(8-fluoro-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981497
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-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 171812238
6-fluoro-5-[4-[(6-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560205

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 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) is 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is CCc1ccc(N2CCC(N3CCN(c4ccc(C(=O)NC)nc4F)CC3)CC2)[nH]c1=O.
What is the InChIKey of 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is IBGSNVWHKBBRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN6O2/c1-3-16-4-7-20(27-22(16)31)30-10-8-17(9-11-30)28-12-14-29(15-13-28)19-6-5-18(23(32)25-2)26-21(19)24/h4-7,17H,3,8-15H2,1-2H3,(H,25,32)(H,27,31).
What are the key properties of 5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide?
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 1.62, 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)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176560575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).