N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide

C84H69Cl4N15O7S — CID 159920540

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)n1.NC(=NO)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C24H21ClN4O.C22H17ClN4O.C19H15ClN4O2.C19H16ClN3O3S/c1-16-13-17(2)29(28-16)15-18-6-8-19(9-7-18)24(30)27-20-10-11-22(25)21(14-20)23-5-3-4-12-26-23;23-20-10-9-18(14-19(20)21-4-1-2-11-24-21)26-22(28)17-7-5-16(6-8-17)15-27-13-3-12-25-27;20-16-9-8-14(11-15(16)17-3-1-2-10-22-17)23-19(25)13-6-4-12(5-7-13)18(21)24-26;1-27(25,26)12-15-6-5-13(11-22-15)19(24)23-14-7-8-17(20)16(10-14)18-4-2-3-9-21-18/h3-14H,15H2,1-2H3,(H,27,30);1-14H,15H2,(H,26,28);1-11,26H,(H2,21,24)(H,23,25);2-11H,12H2,1H3,(H,23,24)
InChIKeyNYIMSKXPNMXWTF-UHFFFAOYSA-N
MW1574.45 g/mol
LogP17.76
Rot. Bonds19

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 159920540) has the molecular formula C84H69Cl4N15O7S and a molecular weight of 1574.45 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID159920540
Molecular FormulaC84H69Cl4N15O7S
Molecular Weight1574.45 g/mol
Exact Mass1571.40
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)n1.NC(=NO)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C24H21ClN4O.C22H17ClN4O.C19H15ClN4O2.C19H16ClN3O3S/c1-16-13-17(2)29(28-16)15-18-6-8-19(9-7-18)24(30)27-20-10-11-22(25)21(14-20)23-5-3-4-12-26-23;23-20-10-9-18(14-19(20)21-4-1-2-11-24-21)26-22(28)17-7-5-16(6-8-17)15-27-13-3-12-25-27;20-16-9-8-14(11-15(16)17-3-1-2-10-22-17)23-19(25)13-6-4-12(5-7-13)18(21)24-26;1-27(25,26)12-15-6-5-13(11-22-15)19(24)23-14-7-8-17(20)16(10-14)18-4-2-3-9-21-18/h3-14H,15H2,1-2H3,(H,27,30);1-14H,15H2,(H,26,28);1-11,26H,(H2,21,24)(H,23,25);2-11H,12H2,1H3,(H,23,24)
InChIKeyNYIMSKXPNMXWTF-UHFFFAOYSA-N
XLogP17.76
TPSA309.24 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001574.45
LogP ≤ 517.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 159920540) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cn1.Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)cc2)n1.NC(=NO)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is NYIMSKXPNMXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O.C22H17ClN4O.C19H15ClN4O2.C19H16ClN3O3S/c1-16-13-17(2)29(28-16)15-18-6-8-19(9-7-18)24(30)27-20-10-11-22(25)21(14-20)23-5-3-4-12-26-23;23-20-10-9-18(14-19(20)21-4-1-2-11-24-21)26-22(28)17-7-5-16(6-8-17)15-27-13-3-12-25-27;20-16-9-8-14(11-15(16)17-3-1-2-10-22-17)23-19(25)13-6-4-12(5-7-13)18(21)24-26;1-27(25,26)12-15-6-5-13(11-22-15)19(24)23-14-7-8-17(20)16(10-14)18-4-2-3-9-21-18/h3-14H,15H2,1-2H3,(H,27,30);1-14H,15H2,(H,26,28);1-11,26H,(H2,21,24)(H,23,25);2-11H,12H2,1H3,(H,23,24).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 1574.45 g/mol, XLogP of 17.76, 19 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(N'-hydroxycarbamimidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 159920540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).