1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one

C14H17N3O — CID 175620248

IUPAC1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one
SMILESCC[C@@H](C)Nc1ccc(-n2ccccc2=O)cn1
InChIInChI=1S/C14H17N3O/c1-3-11(2)16-13-8-7-12(10-15-13)17-9-5-4-6-14(17)18/h4-11H,3H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyFOHOCTCKSKGBFS-LLVKDONJSA-N
MW243.31 g/mol
LogP2.44
Rot. Bonds4

About 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one

1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 175620248) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID175620248
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one
SMILESCC[C@@H](C)Nc1ccc(-n2ccccc2=O)cn1
InChIInChI=1S/C14H17N3O/c1-3-11(2)16-13-8-7-12(10-15-13)17-9-5-4-6-14(17)18/h4-11H,3H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyFOHOCTCKSKGBFS-LLVKDONJSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one with MolForge

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Related Compounds

5-[6-(butan-2-ylamino)-3-pyridinyl]-1-methylimidazo[4,5-c]pyridin-4-one
CID 177336188
1-(6-chloro-3-pyridinyl)pyridin-2-one
CID 135221335
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
N-butan-2-yl-5-hydrazinylpyridin-2-amine
CID 55282176
6-(butan-2-ylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113250552
ethane;1-(4-propan-2-ylphenyl)pyridin-2-one
CID 167489788
N-[6-(butan-2-ylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113009745
[6-(butan-2-ylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109151966
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100697
1-[6-[[(1S,3S)-3-[(5-methylpyrrolo[2,3-b]pyrazin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
CID 171100937
1-(4-methylphenyl)pyridin-2-one
CID 10821386
1-[6-[[(2R,4R)-6-methyl-4-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-bicyclo[3.1.0]hexanyl]amino]-3-pyridinyl]pyridin-2-one
CID 155114690

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one (CID 175620248) is 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one is CC[C@@H](C)Nc1ccc(-n2ccccc2=O)cn1.
What is the InChIKey of 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is FOHOCTCKSKGBFS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-11(2)16-13-8-7-12(10-15-13)17-9-5-4-6-14(17)18/h4-11H,3H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one?
1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(2R)-butan-2-yl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 175620248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).