2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide

C17H16ClF3N4O — CID 24790454

IUPAC2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1ccnc(Cl)c1
InChIInChI=1S/C17H16ClF3N4O/c18-14-8-11(5-6-22-14)16(26)24-13-2-1-7-25(10-13)15-4-3-12(9-23-15)17(19,20)21/h3-6,8-9,13H,1-2,7,10H2,(H,24,26)
InChIKeyJLVVODPAHHJLEP-UHFFFAOYSA-N
MW384.79 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide

2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide (PubChem CID 24790454) has the molecular formula C17H16ClF3N4O and a molecular weight of 384.79 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
PubChem CID24790454
Molecular FormulaC17H16ClF3N4O
Molecular Weight384.79 g/mol
Exact Mass384.10
IUPAC Name2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1ccnc(Cl)c1
InChIInChI=1S/C17H16ClF3N4O/c18-14-8-11(5-6-22-14)16(26)24-13-2-1-7-25(10-13)15-4-3-12(9-23-15)17(19,20)21/h3-6,8-9,13H,1-2,7,10H2,(H,24,26)
InChIKeyJLVVODPAHHJLEP-UHFFFAOYSA-N
XLogP3.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide (CID 24790454) is 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide is O=C(NC1CCCN(c2ccc(C(F)(F)F)cn2)C1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is JLVVODPAHHJLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O/c18-14-8-11(5-6-22-14)16(26)24-13-2-1-7-25(10-13)15-4-3-12(9-23-15)17(19,20)21/h3-6,8-9,13H,1-2,7,10H2,(H,24,26).
What are the key properties of 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide?
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 24790454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).