N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide

C24H20F2N4O2 — CID 171635920

IUPACN-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C24H20F2N4O2/c1-15-3-5-17(24(31)28-12-16-4-6-20(25)21(26)9-16)10-23(15)32-19-7-8-27-22(11-19)18-13-29-30(2)14-18/h3-11,13-14H,12H2,1-2H3,(H,28,31)
InChIKeyQMBIIVPHFRHWNO-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.79
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide

N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide (PubChem CID 171635920) has the molecular formula C24H20F2N4O2 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
PubChem CID171635920
Molecular FormulaC24H20F2N4O2
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C24H20F2N4O2/c1-15-3-5-17(24(31)28-12-16-4-6-20(25)21(26)9-16)10-23(15)32-19-7-8-27-22(11-19)18-13-29-30(2)14-18/h3-11,13-14H,12H2,1-2H3,(H,28,31)
InChIKeyQMBIIVPHFRHWNO-UHFFFAOYSA-N
XLogP4.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide with MolForge

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Related Compounds

N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635424
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 122245890
2,4-dimethyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]pyridine
CID 123273621
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 122245906
N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-formylcyclopropane-1-carboxamide
CID 89461170
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 122245900
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]acetamide
CID 90403222
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
N-[(4-chlorophenyl)methyl]-3-methyl-5-[[2-(1-methylpyrrol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635398

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide (CID 171635920) is N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide is Cc1ccc(C(=O)NCc2ccc(F)c(F)c2)cc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The InChIKey is QMBIIVPHFRHWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2/c1-15-3-5-17(24(31)28-12-16-4-6-20(25)21(26)9-16)10-23(15)32-19-7-8-27-22(11-19)18-13-29-30(2)14-18/h3-11,13-14H,12H2,1-2H3,(H,28,31).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide has a molecular weight of 434.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).