N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide

C24H21ClN4O2 — CID 171635114

IUPACN-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
SMILESCc1c(-c2cnn(C)c2)ncc(Cc2cccc(Cl)c2)c1ONC(=O)c1ccccc1
InChIInChI=1S/C24H21ClN4O2/c1-16-22(20-14-27-29(2)15-20)26-13-19(11-17-7-6-10-21(25)12-17)23(16)31-28-24(30)18-8-4-3-5-9-18/h3-10,12-15H,11H2,1-2H3,(H,28,30)
InChIKeyQXHGAKMUKZTFJP-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.76
Rot. Bonds6

About N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide

N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide (PubChem CID 171635114) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
PubChem CID171635114
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
SMILESCc1c(-c2cnn(C)c2)ncc(Cc2cccc(Cl)c2)c1ONC(=O)c1ccccc1
InChIInChI=1S/C24H21ClN4O2/c1-16-22(20-14-27-29(2)15-20)26-13-19(11-17-7-6-10-21(25)12-17)23(16)31-28-24(30)18-8-4-3-5-9-18/h3-10,12-15H,11H2,1-2H3,(H,28,30)
InChIKeyQXHGAKMUKZTFJP-UHFFFAOYSA-N
XLogP4.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122162703
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
[5-chloro-6-(1-methylpyrazol-4-yl)-3-pyridinyl]methanamine
CID 121209283
(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43161643
4-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292411
5-chloro-2-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275266
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936
4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
CID 82024385
N-[1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
CID 59633481
5-(3,5-dichlorophenyl)-N-[(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 59436296
2-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-3-methylimidazole-4-carboxylic acid
CID 169411976

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide (CID 171635114) is N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide is Cc1c(-c2cnn(C)c2)ncc(Cc2cccc(Cl)c2)c1ONC(=O)c1ccccc1.
What is the InChIKey of N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The InChIKey is QXHGAKMUKZTFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-16-22(20-14-27-29(2)15-20)26-13-19(11-17-7-6-10-21(25)12-17)23(16)31-28-24(30)18-8-4-3-5-9-18/h3-10,12-15H,11H2,1-2H3,(H,28,30).
What are the key properties of N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide has a molecular weight of 432.91 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-chlorophenyl)methyl]-3-methyl-2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).