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

C19H15ClFN3O2 — CID 58614933

IUPACN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C19H15ClFN3O2/c1-11-14(5-8-18(21)23-11)19(25)24-12-3-6-16(20)15(9-12)17-7-4-13(26-2)10-22-17/h3-10H,1-2H3,(H,24,25)
InChIKeyLLZUHENLPNSXMH-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.51
Rot. Bonds4

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

N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide (PubChem CID 58614933) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
PubChem CID58614933
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC NameN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C19H15ClFN3O2/c1-11-14(5-8-18(21)23-11)19(25)24-12-3-6-16(20)15(9-12)17-7-4-13(26-2)10-22-17/h3-10H,1-2H3,(H,24,25)
InChIKeyLLZUHENLPNSXMH-UHFFFAOYSA-N
XLogP4.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.51
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-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide (CID 58614933) is N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide is COc1ccc(-c2cc(NC(=O)c3ccc(F)nc3C)ccc2Cl)nc1.
What is the InChIKey of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
The InChIKey is LLZUHENLPNSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-11-14(5-8-18(21)23-11)19(25)24-12-3-6-16(20)15(9-12)17-7-4-13(26-2)10-22-17/h3-10H,1-2H3,(H,24,25).
What are the key properties of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide?
N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 4.51, 4 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-methoxy-2-pyridinyl)phenyl]-6-fluoro-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 58614933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).