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

C20H17F2N3O3 — CID 109178406

IUPACN-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)cc1OC
InChIInChI=1S/C20H17F2N3O3/c1-27-17-6-4-14(11-18(17)28-2)24-19-9-12(7-8-23-19)20(26)25-13-3-5-15(21)16(22)10-13/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyRGVRUYTTYFBYEF-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.37
Rot. Bonds6

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

N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide (PubChem CID 109178406) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
PubChem CID109178406
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)cc1OC
InChIInChI=1S/C20H17F2N3O3/c1-27-17-6-4-14(11-18(17)28-2)24-19-9-12(7-8-23-19)20(26)25-13-3-5-15(21)16(22)10-13/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyRGVRUYTTYFBYEF-UHFFFAOYSA-N
XLogP4.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide (CID 109178406) is N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)cc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
The InChIKey is RGVRUYTTYFBYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-27-17-6-4-14(11-18(17)28-2)24-19-9-12(7-8-23-19)20(26)25-13-3-5-15(21)16(22)10-13/h3-11H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide?
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109178406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).