5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one

C11H16F2N2O — CID 102869142

IUPAC5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)C(F)F)ccc1=O
InChIInChI=1S/C11H16F2N2O/c1-3-6-15-7-9(4-5-10(15)16)14-8(2)11(12)13/h4-5,7-8,11,14H,3,6H2,1-2H3
InChIKeyBCGZSVFCYJRRLF-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.32
Rot. Bonds5

About 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one

5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one (PubChem CID 102869142) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one
PubChem CID102869142
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)C(F)F)ccc1=O
InChIInChI=1S/C11H16F2N2O/c1-3-6-15-7-9(4-5-10(15)16)14-8(2)11(12)13/h4-5,7-8,11,14H,3,6H2,1-2H3
InChIKeyBCGZSVFCYJRRLF-UHFFFAOYSA-N
XLogP2.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Methyl-6-oxo-1,6-dihydropyridin-3-yl)acetamide
CID 61151185
5-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 60922538
5-Amino-1-propyl-1,2-dihydropyridin-2-one hydrochloride
CID 45791516
2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
CID 97223378
1H-pyridin-2-one;6-(trifluoromethyl)-1H-pyridin-2-one
CID 69343595
(2E)-N-methyl-4-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]penta-2,4-dienamide
CID 90245813
5-(Methylamino)-1-(trifluoromethyl)pyridin-2-one
CID 123383374
1-[(1S,2S)-2-fluorocyclopropyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449074
1-[(1R,2R)-2-fluorocyclopropyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449087
1-(3,3-Difluorocyclobutyl)-3-(methylamino)pyridin-2-one
CID 137449445
1-(3,3-Difluorocyclobutyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457388

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one?
The IUPAC name of 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one (CID 102869142) is 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one.
What is the SMILES notation for 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one?
The canonical SMILES for 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one is CCCn1cc(NC(C)C(F)F)ccc1=O.
What is the InChIKey of 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one?
The InChIKey is BCGZSVFCYJRRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-3-6-15-7-9(4-5-10(15)16)14-8(2)11(12)13/h4-5,7-8,11,14H,3,6H2,1-2H3.
What are the key properties of 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one?
5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropan-2-ylamino)-1-propylpyridin-2-one is sourced from PubChem (CID 102869142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).