2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide

C22H22N6O2 — CID 139362993

IUPAC2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide
SMILESC=N/C(=C\c1cc(-c2cnn(C)c2)ccc1C)NC(=O)c1ccc(C(=O)NC)nc1
InChIInChI=1S/C22H22N6O2/c1-14-5-6-15(18-12-26-28(4)13-18)9-17(14)10-20(23-2)27-21(29)16-7-8-19(25-11-16)22(30)24-3/h5-13H,2H2,1,3-4H3,(H,24,30)(H,27,29)/b20-10+
InChIKeyXYKFEUWTEWMIPY-KEBDBYFISA-N
MW402.46 g/mol
LogP2.58
Rot. Bonds6

About 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide

2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide (PubChem CID 139362993) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide
PubChem CID139362993
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide
SMILESC=N/C(=C\c1cc(-c2cnn(C)c2)ccc1C)NC(=O)c1ccc(C(=O)NC)nc1
InChIInChI=1S/C22H22N6O2/c1-14-5-6-15(18-12-26-28(4)13-18)9-17(14)10-20(23-2)27-21(29)16-7-8-19(25-11-16)22(30)24-3/h5-13H,2H2,1,3-4H3,(H,24,30)(H,27,29)/b20-10+
InChIKeyXYKFEUWTEWMIPY-KEBDBYFISA-N
XLogP2.58
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide (CID 139362993) is 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide is C=N/C(=C\c1cc(-c2cnn(C)c2)ccc1C)NC(=O)c1ccc(C(=O)NC)nc1.
What is the InChIKey of 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide?
The InChIKey is XYKFEUWTEWMIPY-KEBDBYFISA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14-5-6-15(18-12-26-28(4)13-18)9-17(14)10-20(23-2)27-21(29)16-7-8-19(25-11-16)22(30)24-3/h5-13H,2H2,1,3-4H3,(H,24,30)(H,27,29)/b20-10+.
What are the key properties of 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide?
2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-5-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]ethenyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 139362993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).