N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide

C22H28N8O2 — CID 153359437

IUPACN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
SMILESCOc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(/C(=N/N)N(N)C(C)C)n1
InChIInChI=1S/C22H28N8O2/c1-13(2)30(24)21(28-23)18-7-6-8-20(26-18)27-22(31)17-10-16(14(3)9-19(17)32-5)15-11-25-29(4)12-15/h6-13H,23-24H2,1-5H3,(H,26,27,31)/b28-21-
InChIKeyULJOWJPTIXGVFP-HFTWOUSFSA-N
MW436.52 g/mol
LogP2.26
Rot. Bonds6

About N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide

N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide (PubChem CID 153359437) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
PubChem CID153359437
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC NameN-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide
SMILESCOc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(/C(=N/N)N(N)C(C)C)n1
InChIInChI=1S/C22H28N8O2/c1-13(2)30(24)21(28-23)18-7-6-8-20(26-18)27-22(31)17-10-16(14(3)9-19(17)32-5)15-11-25-29(4)12-15/h6-13H,23-24H2,1-5H3,(H,26,27,31)/b28-21-
InChIKeyULJOWJPTIXGVFP-HFTWOUSFSA-N
XLogP2.26
TPSA136.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide (CID 153359437) is N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide is COc1cc(C)c(-c2cnn(C)c2)cc1C(=O)Nc1cccc(/C(=N/N)N(N)C(C)C)n1.
What is the InChIKey of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is ULJOWJPTIXGVFP-HFTWOUSFSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-13(2)30(24)21(28-23)18-7-6-8-20(26-18)27-22(31)17-10-16(14(3)9-19(17)32-5)15-11-25-29(4)12-15/h6-13H,23-24H2,1-5H3,(H,26,27,31)/b28-21-.
What are the key properties of N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide?
N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 436.52 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 153359437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).