4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide

C66H60ClN23O5S — CID 173130054

IUPAC4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide
SMILESCOc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccs2)n1.NNC(=O)c1ccc(Cl)c(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H16N6O2.C17H16N6O.C16H13ClN6O.C16H15N5OS/c1-25-15-5-4-11(16(24)23-18)9-14(15)22-17-20-8-6-13(21-17)12-3-2-7-19-10-12;1-11-4-5-12(16(24)23-18)9-15(11)22-17-20-8-6-14(21-17)13-3-2-7-19-10-13;17-12-4-3-10(15(24)23-18)8-14(12)22-16-20-7-5-13(21-16)11-2-1-6-19-9-11;1-10-4-5-11(15(22)21-17)9-13(10)20-16-18-7-6-12(19-16)14-3-2-8-23-14/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22);2-10H,18H2,1H3,(H,23,24)(H,20,21,22);1-9H,18H2,(H,23,24)(H,20,21,22);2-9H,17H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyPLYZQCAEAHOAPK-UHFFFAOYSA-N
MW1322.88 g/mol
LogP9.49
Rot. Bonds17

About 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide

4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide (PubChem CID 173130054) has the molecular formula C66H60ClN23O5S and a molecular weight of 1322.88 g/mol. Its IUPAC name is 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide.

Molecular Properties

Compound Name4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide
PubChem CID173130054
Molecular FormulaC66H60ClN23O5S
Molecular Weight1322.88 g/mol
Exact Mass1321.46
IUPAC Name4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide
SMILESCOc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccs2)n1.NNC(=O)c1ccc(Cl)c(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H16N6O2.C17H16N6O.C16H13ClN6O.C16H15N5OS/c1-25-15-5-4-11(16(24)23-18)9-14(15)22-17-20-8-6-13(21-17)12-3-2-7-19-10-12;1-11-4-5-12(16(24)23-18)9-15(11)22-17-20-8-6-14(21-17)13-3-2-7-19-10-13;17-12-4-3-10(15(24)23-18)8-14(12)22-16-20-7-5-13(21-16)11-2-1-6-19-9-11;1-10-4-5-11(15(22)21-17)9-13(10)20-16-18-7-6-12(19-16)14-3-2-8-23-14/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22);2-10H,18H2,1H3,(H,23,24)(H,20,21,22);1-9H,18H2,(H,23,24)(H,20,21,22);2-9H,17H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyPLYZQCAEAHOAPK-UHFFFAOYSA-N
XLogP9.49
TPSA419.62 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001322.88
LogP ≤ 59.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide with MolForge

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Related Compounds

4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide
CID 173130052
4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid
CID 69019170
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214457
N-(3-chlorophenyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 71602992
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
N-(2-ethoxyethyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214311
N-benzhydryl-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214313
2-methyl-1-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butan-1-one
CID 90891668
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 11361652
4-methyl-N-[3-(2-methylanilino)propyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 67214275
methyl 4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]methyl]benzoate
CID 42625734
N-[4-[2-(dimethylamino)ethyl]phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 155689093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide?
The IUPAC name of 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide (CID 173130054) is 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide.
What is the SMILES notation for 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide?
The canonical SMILES for 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide is COc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccnc2)n1.Cc1ccc(C(=O)NN)cc1Nc1nccc(-c2cccs2)n1.NNC(=O)c1ccc(Cl)c(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide?
The InChIKey is PLYZQCAEAHOAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2.C17H16N6O.C16H13ClN6O.C16H15N5OS/c1-25-15-5-4-11(16(24)23-18)9-14(15)22-17-20-8-6-13(21-17)12-3-2-7-19-10-12;1-11-4-5-12(16(24)23-18)9-15(11)22-17-20-8-6-14(21-17)13-3-2-7-19-10-13;17-12-4-3-10(15(24)23-18)8-14(12)22-16-20-7-5-13(21-16)11-2-1-6-19-9-11;1-10-4-5-11(15(22)21-17)9-13(10)20-16-18-7-6-12(19-16)14-3-2-8-23-14/h2-10H,18H2,1H3,(H,23,24)(H,20,21,22);2-10H,18H2,1H3,(H,23,24)(H,20,21,22);1-9H,18H2,(H,23,24)(H,20,21,22);2-9H,17H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide?
4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide has a molecular weight of 1322.88 g/mol, XLogP of 9.49, 17 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzohydrazide;4-methyl-3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]benzohydrazide is sourced from PubChem (CID 173130054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).