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

C24H30F3N5O2 — CID 169149184

IUPACN-(2,2-difluoroethyl)-5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-6-fluoropyridine-2-carboxamide
SMILESCCc1ccc(C2CCN(C3CCN(c4ccc(C(=O)NCC(F)F)nc4F)CC3)C2)[nH]c1=O
InChIInChI=1S/C24H30F3N5O2/c1-2-15-3-4-18(30-23(15)33)16-7-10-32(14-16)17-8-11-31(12-9-17)20-6-5-19(29-22(20)27)24(34)28-13-21(25)26/h3-6,16-17,21H,2,7-14H2,1H3,(H,28,34)(H,30,33)
InChIKeyGVCDMPKNDQKDQA-UHFFFAOYSA-N
MW477.53 g/mol
LogP2.92
Rot. Bonds7

About 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

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 (PubChem CID 169149184) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-6-fluoropyridine-2-carboxamide
PubChem CID169149184
Molecular FormulaC24H30F3N5O2
Molecular Weight477.53 g/mol
Exact Mass477.24
IUPAC NameN-(2,2-difluoroethyl)-5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-6-fluoropyridine-2-carboxamide
SMILESCCc1ccc(C2CCN(C3CCN(c4ccc(C(=O)NCC(F)F)nc4F)CC3)C2)[nH]c1=O
InChIInChI=1S/C24H30F3N5O2/c1-2-15-3-4-18(30-23(15)33)16-7-10-32(14-16)17-8-11-31(12-9-17)20-6-5-19(29-22(20)27)24(34)28-13-21(25)26/h3-6,16-17,21H,2,7-14H2,1H3,(H,28,34)(H,30,33)
InChIKeyGVCDMPKNDQKDQA-UHFFFAOYSA-N
XLogP2.92
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide
CID 169148875
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-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176748248
5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 169149088
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-chloro-5-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149026
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
ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium
CID 176689651
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-[4-[3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methyl-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169149111

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1ccc(C2CCN(C3CCN(c4ccc(C(=O)NCC(F)F)nc4F)CC3)C2)[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is GVCDMPKNDQKDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-2-15-3-4-18(30-23(15)33)16-7-10-32(14-16)17-8-11-31(12-9-17)20-6-5-19(29-22(20)27)24(34)28-13-21(25)26/h3-6,16-17,21H,2,7-14H2,1H3,(H,28,34)(H,30,33).
What are the key properties of 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?
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 has a molecular weight of 477.53 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169149184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).