N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide

C21H19F2N3O3 — CID 109215578

IUPACN-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-19-6-3-13(9-20(19)29-2)12-25-15-7-8-24-18(11-15)21(27)26-17-5-4-14(22)10-16(17)23/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyWGPZKEAGSZBKJS-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.24
Rot. Bonds7

About N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide

N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109215578) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109215578
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC NameN-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-19-6-3-13(9-20(19)29-2)12-25-15-7-8-24-18(11-15)21(27)26-17-5-4-14(22)10-16(17)23/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyWGPZKEAGSZBKJS-UHFFFAOYSA-N
XLogP4.24
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109215565
4-(1,3-benzodioxol-5-ylmethylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109212478
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216800
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420
4-(2,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109221968
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
2-N-(2,4-difluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086914
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide (CID 109215578) is N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNc2ccnc(C(=O)Nc3ccc(F)cc3F)c2)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is WGPZKEAGSZBKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-28-19-6-3-13(9-20(19)29-2)12-25-15-7-8-24-18(11-15)21(27)26-17-5-4-14(22)10-16(17)23/h3-11H,12H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide?
N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109215578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).