(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one

C15H24N2O — CID 177080585

IUPAC(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one
SMILESCC(C)C(=O)[C@H](Cc1cccnc1)N(C)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)15(18)14(17(5)12(3)4)9-13-7-6-8-16-10-13/h6-8,10-12,14H,9H2,1-5H3/t14-/m0/s1
InChIKeyJDZNIJXAOIWMTG-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.56
Rot. Bonds6

About (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one

(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one (PubChem CID 177080585) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one.

Molecular Properties

Compound Name(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one
PubChem CID177080585
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one
SMILESCC(C)C(=O)[C@H](Cc1cccnc1)N(C)C(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)15(18)14(17(5)12(3)4)9-13-7-6-8-16-10-13/h6-8,10-12,14H,9H2,1-5H3/t14-/m0/s1
InChIKeyJDZNIJXAOIWMTG-AWEZNQCLSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
2-methyl-1-pyridin-3-ylpentan-3-one
CID 57063498
2-[methyl(phenylmethoxycarbonyl)amino]-3-pyridin-3-ylpropanoic acid
CID 156690970
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid
CID 69352582
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
(2S)-2-(dimethylsulfamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348899
(4S)-2,2,5-trimethyl-4-(pyridin-3-ylmethyl)hexan-3-one
CID 58300260
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one?
The IUPAC name of (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one (CID 177080585) is (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one.
What is the SMILES notation for (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one?
The canonical SMILES for (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one is CC(C)C(=O)[C@H](Cc1cccnc1)N(C)C(C)C.
What is the InChIKey of (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one?
The InChIKey is JDZNIJXAOIWMTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)15(18)14(17(5)12(3)4)9-13-7-6-8-16-10-13/h6-8,10-12,14H,9H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one?
(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one has a molecular weight of 248.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-pyridin-3-ylpentan-3-one is sourced from PubChem (CID 177080585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).