3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide

C14H20ClF3N4O — CID 120652715

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H20ClF3N4O/c1-3-19-9(2)7-21-12(23)4-5-20-13-11(15)6-10(8-22-13)14(16,17)18/h6,8-9,19H,3-5,7H2,1-2H3,(H,20,22)(H,21,23)/t9-/m1/s1
InChIKeyIEFUTAXSLYQLCG-SECBINFHSA-N
MW352.79 g/mol
LogP2.67
Rot. Bonds8

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120652715) has the molecular formula C14H20ClF3N4O and a molecular weight of 352.79 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120652715
Molecular FormulaC14H20ClF3N4O
Molecular Weight352.79 g/mol
Exact Mass352.13
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H20ClF3N4O/c1-3-19-9(2)7-21-12(23)4-5-20-13-11(15)6-10(8-22-13)14(16,17)18/h6,8-9,19H,3-5,7H2,1-2H3,(H,20,22)(H,21,23)/t9-/m1/s1
InChIKeyIEFUTAXSLYQLCG-SECBINFHSA-N
XLogP2.67
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoylamino]butanoic acid
CID 119347900
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
N-(2-amino-2-ethylbutyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119641211
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 95341584
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
CID 18526045
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
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
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120652715) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is IEFUTAXSLYQLCG-SECBINFHSA-N. The full InChI is InChI=1S/C14H20ClF3N4O/c1-3-19-9(2)7-21-12(23)4-5-20-13-11(15)6-10(8-22-13)14(16,17)18/h6,8-9,19H,3-5,7H2,1-2H3,(H,20,22)(H,21,23)/t9-/m1/s1.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 352.79 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 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-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120652715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).