(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one

C12H18N2O — CID 71023963

IUPAC(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
SMILESC[C@H](Nc1cccnc1)C(=O)C(C)(C)C
InChIInChI=1S/C12H18N2O/c1-9(11(15)12(2,3)4)14-10-6-5-7-13-8-10/h5-9,14H,1-4H3/t9-/m0/s1
InChIKeyRJKWHVICTDVIBE-VIFPVBQESA-N
MW206.29 g/mol
LogP2.50
Rot. Bonds3

About (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one

(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one (PubChem CID 71023963) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
PubChem CID71023963
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
SMILESC[C@H](Nc1cccnc1)C(=O)C(C)(C)C
InChIInChI=1S/C12H18N2O/c1-9(11(15)12(2,3)4)14-10-6-5-7-13-8-10/h5-9,14H,1-4H3/t9-/m0/s1
InChIKeyRJKWHVICTDVIBE-VIFPVBQESA-N
XLogP2.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
CID 10944780
(4S)-2,2,5-trimethyl-4-(pyridin-3-ylmethyl)hexan-3-one
CID 58300260
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
N-pyridin-3-ylprop-2-ynamide
CID 130904210
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one?
The IUPAC name of (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one (CID 71023963) is (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one.
What is the SMILES notation for (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one?
The canonical SMILES for (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one is C[C@H](Nc1cccnc1)C(=O)C(C)(C)C.
What is the InChIKey of (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one?
The InChIKey is RJKWHVICTDVIBE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(11(15)12(2,3)4)14-10-6-5-7-13-8-10/h5-9,14H,1-4H3/t9-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one?
(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one has a molecular weight of 206.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one is sourced from PubChem (CID 71023963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).