2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide

C17H17F3N4O2 — CID 163237965

IUPAC2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cn1)N1CC(c2ccc(=O)[nH]c2)C(F)(F)C1
InChIInChI=1S/C17H17F3N4O2/c1-10(16(26)23-14-4-3-12(18)7-21-14)24-8-13(17(19,20)9-24)11-2-5-15(25)22-6-11/h2-7,10,13H,8-9H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyGSTYVPBBXZPSES-UHFFFAOYSA-N
MW366.34 g/mol
LogP1.97
Rot. Bonds4

About 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide

2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide (PubChem CID 163237965) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
PubChem CID163237965
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cn1)N1CC(c2ccc(=O)[nH]c2)C(F)(F)C1
InChIInChI=1S/C17H17F3N4O2/c1-10(16(26)23-14-4-3-12(18)7-21-14)24-8-13(17(19,20)9-24)11-2-5-15(25)22-6-11/h2-7,10,13H,8-9H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyGSTYVPBBXZPSES-UHFFFAOYSA-N
XLogP1.97
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230866
cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate
CID 174230952
(2S)-N-[5-[(E)-2-cyclopropylethenyl]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 163238110
(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
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
2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 174231184
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
(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide
CID 163237824
2-[(3S)-4,4-difluoro-3-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 174230807
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734757
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

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The IUPAC name of 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide (CID 163237965) is 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide is CC(C(=O)Nc1ccc(F)cn1)N1CC(c2ccc(=O)[nH]c2)C(F)(F)C1.
What is the InChIKey of 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
The InChIKey is GSTYVPBBXZPSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-10(16(26)23-14-4-3-12(18)7-21-14)24-8-13(17(19,20)9-24)11-2-5-15(25)22-6-11/h2-7,10,13H,8-9H2,1H3,(H,22,25)(H,21,23,26).
What are the key properties of 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide?
2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide has a molecular weight of 366.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 163237965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).