(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide

C22H22F2N4O2 — CID 163237824

IUPAC(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ccc2ccccc2n1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C22H22F2N4O2/c1-14(21(30)27-19-8-6-15-4-2-3-5-18(15)26-19)28-11-10-22(23,24)17(13-28)16-7-9-20(29)25-12-16/h2-9,12,14,17H,10-11,13H2,1H3,(H,25,29)(H,26,27,30)/t14-,17+/m0/s1
InChIKeyZYPFIRPHCQRUEC-WMLDXEAASA-N
MW412.44 g/mol
LogP3.37
Rot. Bonds4

About (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide

(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide (PubChem CID 163237824) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide
PubChem CID163237824
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide
SMILESC[C@@H](C(=O)Nc1ccc2ccccc2n1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C22H22F2N4O2/c1-14(21(30)27-19-8-6-15-4-2-3-5-18(15)26-19)28-11-10-22(23,24)17(13-28)16-7-9-20(29)25-12-16/h2-9,12,14,17H,10-11,13H2,1H3,(H,25,29)(H,26,27,30)/t14-,17+/m0/s1
InChIKeyZYPFIRPHCQRUEC-WMLDXEAASA-N
XLogP3.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230866
N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230876
2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(1,3-thiazol-2-ylmethyl)-2-pyridinyl]propanamide
CID 174230845
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174231004
2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[6-(2,2-dimethylpropoxy)pyridazin-3-yl]propanamide
CID 174231018
2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(3,4-difluorophenoxy)-2-pyridinyl]propanamide
CID 174230805
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734757
cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate
CID 174230952
2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 163237965
2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[2-[(dimethylamino)methyl]-4-fluorophenoxy]-2-pyridinyl]propanamide
CID 174230928
(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[2-[(dimethylamino)methyl]-4-fluorophenoxy]-2-pyridinyl]propanamide
CID 163238304
N-(5-cyclopropyl-2-pyridinyl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
CID 174231084

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide?
The IUPAC name of (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide (CID 163237824) is (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide is C[C@@H](C(=O)Nc1ccc2ccccc2n1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1.
What is the InChIKey of (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide?
The InChIKey is ZYPFIRPHCQRUEC-WMLDXEAASA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-14(21(30)27-19-8-6-15-4-2-3-5-18(15)26-19)28-11-10-22(23,24)17(13-28)16-7-9-20(29)25-12-16/h2-9,12,14,17H,10-11,13H2,1H3,(H,25,29)(H,26,27,30)/t14-,17+/m0/s1.
What are the key properties of (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide?
(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide has a molecular weight of 412.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide is sourced from PubChem (CID 163237824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).