(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one

C18H16FN5O — CID 124886125

IUPAC(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
SMILESO=C1[C@@H](Nc2ncnc3cccc(F)c23)CCCN1c1cccnc1
InChIInChI=1S/C18H16FN5O/c19-13-5-1-6-14-16(13)17(22-11-21-14)23-15-7-3-9-24(18(15)25)12-4-2-8-20-10-12/h1-2,4-6,8,10-11,15H,3,7,9H2,(H,21,22,23)/t15-/m0/s1
InChIKeyYACYTEQZZYSJBL-HNNXBMFYSA-N
MW337.36 g/mol
LogP2.77
Rot. Bonds3

About (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one

(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one (PubChem CID 124886125) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
PubChem CID124886125
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
SMILESO=C1[C@@H](Nc2ncnc3cccc(F)c23)CCCN1c1cccnc1
InChIInChI=1S/C18H16FN5O/c19-13-5-1-6-14-16(13)17(22-11-21-14)23-15-7-3-9-24(18(15)25)12-4-2-8-20-10-12/h1-2,4-6,8,10-11,15H,3,7,9H2,(H,21,22,23)/t15-/m0/s1
InChIKeyYACYTEQZZYSJBL-HNNXBMFYSA-N
XLogP2.77
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one with MolForge

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Related Compounds

(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 129447691
5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 124885543
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
CID 56788040
cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
CID 95622939
4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
CID 56816066
N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
CID 97351700
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The IUPAC name of (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one (CID 124886125) is (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one is O=C1[C@@H](Nc2ncnc3cccc(F)c23)CCCN1c1cccnc1.
What is the InChIKey of (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The InChIKey is YACYTEQZZYSJBL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-13-5-1-6-14-16(13)17(22-11-21-14)23-15-7-3-9-24(18(15)25)12-4-2-8-20-10-12/h1-2,4-6,8,10-11,15H,3,7,9H2,(H,21,22,23)/t15-/m0/s1.
What are the key properties of (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one has a molecular weight of 337.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one is sourced from PubChem (CID 124886125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).