N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide

C19H19N5O — CID 6905906

IUPACN-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C19H19N5O/c1-14-18(12-21-22-19(25)17-9-6-10-20-11-17)15(2)24(23-14)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+
InChIKeyQBFQUMYDSJOLJZ-CIAFOILYSA-N
MW333.40 g/mol
LogP2.71
Rot. Bonds5

About N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6905906) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID6905906
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1cccnc1
InChIInChI=1S/C19H19N5O/c1-14-18(12-21-22-19(25)17-9-6-10-20-11-17)15(2)24(23-14)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+
InChIKeyQBFQUMYDSJOLJZ-CIAFOILYSA-N
XLogP2.71
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide (CID 6905906) is N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1cccnc1.
What is the InChIKey of N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is QBFQUMYDSJOLJZ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-18(12-21-22-19(25)17-9-6-10-20-11-17)15(2)24(23-14)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+.
What are the key properties of N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6905906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).