3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide

C13H17ClF3N3O2 — CID 95341584

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@H](C)NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H17ClF3N3O2/c1-8(7-22-2)20-11(21)3-4-18-12-10(14)5-9(6-19-12)13(15,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/t8-/m0/s1
InChIKeyDYJHKSGZOOIDFP-QMMMGPOBSA-N
MW339.75 g/mol
LogP2.71
Rot. Bonds7

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide (PubChem CID 95341584) has the molecular formula C13H17ClF3N3O2 and a molecular weight of 339.75 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide
PubChem CID95341584
Molecular FormulaC13H17ClF3N3O2
Molecular Weight339.75 g/mol
Exact Mass339.10
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@H](C)NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H17ClF3N3O2/c1-8(7-22-2)20-11(21)3-4-18-12-10(14)5-9(6-19-12)13(15,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/t8-/m0/s1
InChIKeyDYJHKSGZOOIDFP-QMMMGPOBSA-N
XLogP2.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoylamino]butanoic acid
CID 119347900
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652715
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
N-(2-amino-2-methylpropyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide;dihydrochloride
CID 119627496
N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
N-(2-amino-2-ethylbutyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119641211
3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl-propan-2-ylamino]propanoic acid
CID 120520175
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]propanamide
CID 97262415
2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
CID 18526045

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide (CID 95341584) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide is COC[C@H](C)NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The InChIKey is DYJHKSGZOOIDFP-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17ClF3N3O2/c1-8(7-22-2)20-11(21)3-4-18-12-10(14)5-9(6-19-12)13(15,16)17/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)(H,20,21)/t8-/m0/s1.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide has a molecular weight of 339.75 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 95341584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).