N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide

C25H24N4O2 — CID 78889010

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C25H24N4O2/c1-18-23(19(2)29(28-18)17-20-9-5-3-6-10-20)16-27-25(30)21-13-14-24(26-15-21)31-22-11-7-4-8-12-22/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyHXCVUIKUWMLGMW-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.67
Rot. Bonds7

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 78889010) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide
PubChem CID78889010
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C25H24N4O2/c1-18-23(19(2)29(28-18)17-20-9-5-3-6-10-20)16-27-25(30)21-13-14-24(26-15-21)31-22-11-7-4-8-12-22/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyHXCVUIKUWMLGMW-UHFFFAOYSA-N
XLogP4.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607454
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
CID 27331273
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(methylsulfanylmethyl)benzamide
CID 8944114
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-3-methoxybenzamide
CID 8944138
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-chloropyridine-4-carboxamide
CID 34306724
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-bromopyridine-3-carboxamide
CID 8943431
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 27331227
N-[(2S)-1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 31645970
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide (CID 78889010) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is HXCVUIKUWMLGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-23(19(2)29(28-18)17-20-9-5-3-6-10-20)16-27-25(30)21-13-14-24(26-15-21)31-22-11-7-4-8-12-22/h3-15H,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 78889010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).