N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide

C19H15ClFN3O2 — CID 109163723

IUPACN-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cn2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-26-15-4-2-3-13(9-15)23-18-8-5-12(11-22-18)19(25)24-14-6-7-17(21)16(20)10-14/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyAOHCEYPVGVAIBD-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.88
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109163723) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide
PubChem CID109163723
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cn2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-26-15-4-2-3-13(9-15)23-18-8-5-12(11-22-18)19(25)24-14-6-7-17(21)16(20)10-14/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyAOHCEYPVGVAIBD-UHFFFAOYSA-N
XLogP4.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide (CID 109163723) is N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide is COc1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cn2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is AOHCEYPVGVAIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-26-15-4-2-3-13(9-15)23-18-8-5-12(11-22-18)19(25)24-14-6-7-17(21)16(20)10-14/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).