N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide

C21H20FN3O3 — CID 109215529

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(F)cc3)ccn2)cc1OC
InChIInChI=1S/C21H20FN3O3/c1-27-19-8-3-14(11-20(19)28-2)13-24-21(26)18-12-17(9-10-23-18)25-16-6-4-15(22)5-7-16/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYPTWABMCAVAVDW-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.91
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide (PubChem CID 109215529) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
PubChem CID109215529
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(F)cc3)ccn2)cc1OC
InChIInChI=1S/C21H20FN3O3/c1-27-19-8-3-14(11-20(19)28-2)13-24-21(26)18-12-17(9-10-23-18)25-16-6-4-15(22)5-7-16/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyYPTWABMCAVAVDW-UHFFFAOYSA-N
XLogP3.91
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
4-(4-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211451
6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046
4-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214143
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210465
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109309729
methyl 4-[[2-[2-(4-fluorophenyl)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109214162
N-(2,4-difluorophenyl)-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109215578

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide (CID 109215529) is N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccc(F)cc3)ccn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide?
The InChIKey is YPTWABMCAVAVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-19-8-3-14(11-20(19)28-2)13-24-21(26)18-12-17(9-10-23-18)25-16-6-4-15(22)5-7-16/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109215529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).