N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide

C18H17ClFN5O — CID 155476798

IUPACN-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide
SMILESN#Cc1cc(F)c(NC2CCCC(NC(=O)c3ccccn3)C2)nc1Cl
InChIInChI=1S/C18H17ClFN5O/c19-16-11(10-21)8-14(20)17(25-16)23-12-4-3-5-13(9-12)24-18(26)15-6-1-2-7-22-15/h1-2,6-8,12-13H,3-5,9H2,(H,23,25)(H,24,26)
InChIKeyWLKYNOYBLCDVGX-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.29
Rot. Bonds4

About N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide

N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide (PubChem CID 155476798) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide
PubChem CID155476798
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC NameN-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide
SMILESN#Cc1cc(F)c(NC2CCCC(NC(=O)c3ccccn3)C2)nc1Cl
InChIInChI=1S/C18H17ClFN5O/c19-16-11(10-21)8-14(20)17(25-16)23-12-4-3-5-13(9-12)24-18(26)15-6-1-2-7-22-15/h1-2,6-8,12-13H,3-5,9H2,(H,23,25)(H,24,26)
InChIKeyWLKYNOYBLCDVGX-UHFFFAOYSA-N
XLogP3.29
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide (CID 155476798) is N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide is N#Cc1cc(F)c(NC2CCCC(NC(=O)c3ccccn3)C2)nc1Cl.
What is the InChIKey of N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is WLKYNOYBLCDVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c19-16-11(10-21)8-14(20)17(25-16)23-12-4-3-5-13(9-12)24-18(26)15-6-1-2-7-22-15/h1-2,6-8,12-13H,3-5,9H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide?
N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 373.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 155476798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).