2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

C19H15ClFN3O2 — CID 23632514

IUPAC2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cccnc2Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-26-14-5-2-4-12(10-14)24-19(25)15-6-3-9-22-18(15)23-13-7-8-17(21)16(20)11-13/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyVMOGUXUJJHRKQH-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.88
Rot. Bonds5

About 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 23632514) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID23632514
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cccnc2Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-26-14-5-2-4-12(10-14)24-19(25)15-6-3-9-22-18(15)23-13-7-8-17(21)16(20)11-13/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyVMOGUXUJJHRKQH-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 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 23632514) is 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cccnc2Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is VMOGUXUJJHRKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-26-14-5-2-4-12(10-14)24-19(25)15-6-3-9-22-18(15)23-13-7-8-17(21)16(20)11-13/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)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 2-(3-chloro-4-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).