6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide

C13H14N4O — CID 5405100

IUPAC6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cccn2C)cn1
InChIInChI=1S/C13H14N4O/c1-10-5-6-11(8-14-10)13(18)16-15-9-12-4-3-7-17(12)2/h3-9H,1-2H3,(H,16,18)/b15-9-
InChIKeyIYQCFMYJHAEKEY-DHDCSXOGSA-N
MW242.28 g/mol
LogP1.49
Rot. Bonds3

About 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide

6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 5405100) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID5405100
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cccn2C)cn1
InChIInChI=1S/C13H14N4O/c1-10-5-6-11(8-14-10)13(18)16-15-9-12-4-3-7-17(12)2/h3-9H,1-2H3,(H,16,18)/b15-9-
InChIKeyIYQCFMYJHAEKEY-DHDCSXOGSA-N
XLogP1.49
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'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 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide (CID 5405100) is 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C\c2cccn2C)cn1.
What is the InChIKey of 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is IYQCFMYJHAEKEY-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10-5-6-11(8-14-10)13(18)16-15-9-12-4-3-7-17(12)2/h3-9H,1-2H3,(H,16,18)/b15-9-.
What are the key properties of 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide?
6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5405100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).