1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide

C16H19F3N4O — CID 51090145

IUPAC1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CCCC1
InChIInChI=1S/C16H19F3N4O/c17-16(18,19)12-4-5-13(23-10-12)21-8-3-9-22-14(24)15(11-20)6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H,21,23)(H,22,24)
InChIKeyACTIMEXECSWMLS-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.10
Rot. Bonds6

About 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide

1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide (PubChem CID 51090145) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide
PubChem CID51090145
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CCCC1
InChIInChI=1S/C16H19F3N4O/c17-16(18,19)12-4-5-13(23-10-12)21-8-3-9-22-14(24)15(11-20)6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H,21,23)(H,22,24)
InChIKeyACTIMEXECSWMLS-UHFFFAOYSA-N
XLogP3.10
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide (CID 51090145) is 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide is N#CC1(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)CCCC1.
What is the InChIKey of 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide?
The InChIKey is ACTIMEXECSWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c17-16(18,19)12-4-5-13(23-10-12)21-8-3-9-22-14(24)15(11-20)6-1-2-7-15/h4-5,10H,1-3,6-9H2,(H,21,23)(H,22,24).
What are the key properties of 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide?
1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51090145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).