cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate

C24H28F2N4O4 — CID 174230952

IUPACcyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate
SMILESCC(C(=O)Nc1ccc(C(=O)OC2CCCC2)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C24H28F2N4O4/c1-15(30-11-10-24(25,26)19(14-30)16-7-9-21(31)28-12-16)22(32)29-20-8-6-17(13-27-20)23(33)34-18-4-2-3-5-18/h6-9,12-13,15,18-19H,2-5,10-11,14H2,1H3,(H,28,31)(H,27,29,32)/t15?,19-/m1/s1
InChIKeyFKUZEIDLZZHRJL-XCWJXAQQSA-N
MW474.51 g/mol
LogP3.32
Rot. Bonds6

About cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate

cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate (PubChem CID 174230952) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate
PubChem CID174230952
Molecular FormulaC24H28F2N4O4
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Namecyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate
SMILESCC(C(=O)Nc1ccc(C(=O)OC2CCCC2)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C24H28F2N4O4/c1-15(30-11-10-24(25,26)19(14-30)16-7-9-21(31)28-12-16)22(32)29-20-8-6-17(13-27-20)23(33)34-18-4-2-3-5-18/h6-9,12-13,15,18-19H,2-5,10-11,14H2,1H3,(H,28,31)(H,27,29,32)/t15?,19-/m1/s1
InChIKeyFKUZEIDLZZHRJL-XCWJXAQQSA-N
XLogP3.32
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-cyclopentyloxypyridazin-3-yl)-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230876
N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230866
(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
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-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174231004
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-[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
2-[3,3-difluoro-4-(6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 163237965
(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-quinolin-2-ylpropanamide
CID 163237824
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
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 cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate?
The IUPAC name of cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate (CID 174230952) is cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate.
What is the SMILES notation for cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate?
The canonical SMILES for cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate is CC(C(=O)Nc1ccc(C(=O)OC2CCCC2)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1.
What is the InChIKey of cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate?
The InChIKey is FKUZEIDLZZHRJL-XCWJXAQQSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-15(30-11-10-24(25,26)19(14-30)16-7-9-21(31)28-12-16)22(32)29-20-8-6-17(13-27-20)23(33)34-18-4-2-3-5-18/h6-9,12-13,15,18-19H,2-5,10-11,14H2,1H3,(H,28,31)(H,27,29,32)/t15?,19-/m1/s1.
What are the key properties of cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate?
cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate has a molecular weight of 474.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 6-[2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanoylamino]pyridine-3-carboxylate is sourced from PubChem (CID 174230952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).