4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide

C20H18FN3O3 — CID 109222036

IUPAC4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3cccc(F)c3)c2)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-18-7-6-15(12-19(18)27-2)23-16-8-9-22-17(11-16)20(25)24-14-5-3-4-13(21)10-14/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyOKEJODRNZNSERZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.23
Rot. Bonds6

About 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide

4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109222036) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
PubChem CID109222036
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3cccc(F)c3)c2)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-18-7-6-15(12-19(18)27-2)23-16-8-9-22-17(11-16)20(25)24-14-5-3-4-13(21)10-14/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyOKEJODRNZNSERZ-UHFFFAOYSA-N
XLogP4.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109222426
4-(3-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109222452
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219115
4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220006
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337761
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide (CID 109222036) is 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide is COc1ccc(Nc2ccnc(C(=O)Nc3cccc(F)c3)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is OKEJODRNZNSERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-18-7-6-15(12-19(18)27-2)23-16-8-9-22-17(11-16)20(25)24-14-5-3-4-13(21)10-14/h3-12H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide?
4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109222036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).