(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide

C11H13ClF3N3O — CID 94160420

IUPAC(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
SMILESC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C11H13ClF3N3O/c1-6(10(19)18(2)3)17-9-8(12)4-7(5-16-9)11(13,14)15/h4-6H,1-3H3,(H,16,17)/t6-/m0/s1
InChIKeyBPAURPPWJCWQSE-LURJTMIESA-N
MW295.69 g/mol
LogP2.64
Rot. Bonds3

About (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide

(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide (PubChem CID 94160420) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
PubChem CID94160420
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
SMILESC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(=O)N(C)C
InChIInChI=1S/C11H13ClF3N3O/c1-6(10(19)18(2)3)17-9-8(12)4-7(5-16-9)11(13,14)15/h4-6H,1-3H3,(H,16,17)/t6-/m0/s1
InChIKeyBPAURPPWJCWQSE-LURJTMIESA-N
XLogP2.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
2-[2-chloro-4-(trifluoromethyl)anilino]-N,N-dimethylpropanamide
CID 63668275
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 83180248
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide (CID 94160420) is (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide is C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide?
The InChIKey is BPAURPPWJCWQSE-LURJTMIESA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-6(10(19)18(2)3)17-9-8(12)4-7(5-16-9)11(13,14)15/h4-6H,1-3H3,(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide?
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide has a molecular weight of 295.69 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 94160420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).