N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide

C15H20F3N3O2 — CID 133490173

IUPACN-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide
SMILESO=C(CCNc1ccc(OC(F)(F)F)cn1)NC1CCCCC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)23-12-6-7-13(20-10-12)19-9-8-14(22)21-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)(H,21,22)
InChIKeyCKSLHKYLVHGFFQ-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.23
Rot. Bonds6

About N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide

N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide (PubChem CID 133490173) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide
PubChem CID133490173
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide
SMILESO=C(CCNc1ccc(OC(F)(F)F)cn1)NC1CCCCC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)23-12-6-7-13(20-10-12)19-9-8-14(22)21-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)(H,21,22)
InChIKeyCKSLHKYLVHGFFQ-UHFFFAOYSA-N
XLogP3.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
CID 79401055
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-cycloheptyl-3-(4-phenoxyanilino)propanamide
CID 109031516
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109014106
N-cyclopentyl-3-[[N'-[[4-(trifluoromethoxy)phenyl]methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111599505
methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506
N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide (CID 133490173) is N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide is O=C(CCNc1ccc(OC(F)(F)F)cn1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide?
The InChIKey is CKSLHKYLVHGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)23-12-6-7-13(20-10-12)19-9-8-14(22)21-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)(H,21,22).
What are the key properties of N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide?
N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide has a molecular weight of 331.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[5-(trifluoromethoxy)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 133490173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).