2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone

C13H15ClF3N3O — CID 71891929

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H15ClF3N3O/c14-10-6-9(13(15,16)17)7-18-12(10)19-8-11(21)20-4-2-1-3-5-20/h6-7H,1-5,8H2,(H,18,19)
InChIKeyXAUMLNDDCIOGMD-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.18
Rot. Bonds3

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone (PubChem CID 71891929) has the molecular formula C13H15ClF3N3O and a molecular weight of 321.73 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
PubChem CID71891929
Molecular FormulaC13H15ClF3N3O
Molecular Weight321.73 g/mol
Exact Mass321.09
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCCCC1
InChIInChI=1S/C13H15ClF3N3O/c14-10-6-9(13(15,16)17)7-18-12(10)19-8-11(21)20-4-2-1-3-5-20/h6-7H,1-5,8H2,(H,18,19)
InChIKeyXAUMLNDDCIOGMD-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
CID 60694052
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 102716148
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid
CID 43465671
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 124592082
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
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
1-(azetidin-1-yl)-2-[[5-fluoro-6-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-yl]amino]ethanone;trifluoromethanol
CID 178126981
(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371778
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430013

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone (CID 71891929) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone is O=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCCCC1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone?
The InChIKey is XAUMLNDDCIOGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3O/c14-10-6-9(13(15,16)17)7-18-12(10)19-8-11(21)20-4-2-1-3-5-20/h6-7H,1-5,8H2,(H,18,19).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone has a molecular weight of 321.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 71891929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).