N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide

C14H18F3N3O — CID 47981886

IUPACN-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESCC(Nc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCC1
InChIInChI=1S/C14H18F3N3O/c1-9(13(21)20-11-4-2-3-5-11)19-12-7-6-10(8-18-12)14(15,16)17/h6-9,11H,2-5H2,1H3,(H,18,19)(H,20,21)
InChIKeyWIMUCXIASBIURP-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.96
Rot. Bonds4

About N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide

N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide (PubChem CID 47981886) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
PubChem CID47981886
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESCC(Nc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCC1
InChIInChI=1S/C14H18F3N3O/c1-9(13(21)20-11-4-2-3-5-11)19-12-7-6-10(8-18-12)14(15,16)17/h6-9,11H,2-5H2,1H3,(H,18,19)(H,20,21)
InChIKeyWIMUCXIASBIURP-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 51184992
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
(2R)-N-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propanamide
CID 95900158
N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333
N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 79870374
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 46512074
5-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]butyl]oxolane-2-carboxamide
CID 166333190
1-(2,3-dihydroindol-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 133285179
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118326054
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182
N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 115691993
N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 43399613

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide (CID 47981886) is N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide is CC(Nc1ccc(C(F)(F)F)cn1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The InChIKey is WIMUCXIASBIURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9(13(21)20-11-4-2-3-5-11)19-12-7-6-10(8-18-12)14(15,16)17/h6-9,11H,2-5H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide has a molecular weight of 301.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 47981886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).