2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone

C13H15ClF3N3O — CID 102716148

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1cc(C(F)(F)F)cc(Cl)n1)N1CCCCC1
InChIInChI=1S/C13H15ClF3N3O/c14-10-6-9(13(15,16)17)7-11(19-10)18-8-12(21)20-4-2-1-3-5-20/h6-7H,1-5,8H2,(H,18,19)
InChIKeyHKBMVQUOIYABNC-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.18
Rot. Bonds3

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone (PubChem CID 102716148) has the molecular formula C13H15ClF3N3O and a molecular weight of 321.73 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
PubChem CID102716148
Molecular FormulaC13H15ClF3N3O
Molecular Weight321.73 g/mol
Exact Mass321.09
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1cc(C(F)(F)F)cc(Cl)n1)N1CCCCC1
InChIInChI=1S/C13H15ClF3N3O/c14-10-6-9(13(15,16)17)7-11(19-10)18-8-12(21)20-4-2-1-3-5-20/h6-7H,1-5,8H2,(H,18,19)
InChIKeyHKBMVQUOIYABNC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
CID 60694052
2-chloro-6-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 61404434
N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropanecarboxamide
CID 102716189
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
CID 102751793
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015554
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 102716159

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone (CID 102716148) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone is O=C(CNc1cc(C(F)(F)F)cc(Cl)n1)N1CCCCC1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone?
The InChIKey is HKBMVQUOIYABNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3O/c14-10-6-9(13(15,16)17)7-11(19-10)18-8-12(21)20-4-2-1-3-5-20/h6-7H,1-5,8H2,(H,18,19).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone?
2-[[6-chloro-4-(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-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 102716148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).