N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide

C20H17ClFN3O2 — CID 58614927

IUPACN-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
SMILESCCOc1ccc(-c2cc(NC(=O)c3ccc(F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C20H17ClFN3O2/c1-3-27-14-5-8-18(23-11-14)16-10-13(4-7-17(16)21)25-20(26)15-6-9-19(22)24-12(15)2/h4-11H,3H2,1-2H3,(H,25,26)
InChIKeyZOKOMQYTZKPWHQ-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.90
Rot. Bonds5

About N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide

N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide (PubChem CID 58614927) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
PubChem CID58614927
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
SMILESCCOc1ccc(-c2cc(NC(=O)c3ccc(F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C20H17ClFN3O2/c1-3-27-14-5-8-18(23-11-14)16-10-13(4-7-17(16)21)25-20(26)15-6-9-19(22)24-12(15)2/h4-11H,3H2,1-2H3,(H,25,26)
InChIKeyZOKOMQYTZKPWHQ-UHFFFAOYSA-N
XLogP4.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.90
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 N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide (CID 58614927) is N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide is CCOc1ccc(-c2cc(NC(=O)c3ccc(F)nc3C)ccc2Cl)nc1.
What is the InChIKey of N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The InChIKey is ZOKOMQYTZKPWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-3-27-14-5-8-18(23-11-14)16-10-13(4-7-17(16)21)25-20(26)15-6-9-19(22)24-12(15)2/h4-11H,3H2,1-2H3,(H,25,26).
What are the key properties of N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-ethoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 58614927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).