6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide

C12H12N4O — CID 935068

IUPAC6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccc[nH]2)cn1
InChIInChI=1S/C12H12N4O/c1-9-4-5-10(7-14-9)12(17)16-15-8-11-3-2-6-13-11/h2-8,13H,1H3,(H,16,17)
InChIKeyBVRMQOJUWNDTEL-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.48
Rot. Bonds3

About 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide

6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide (PubChem CID 935068) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide
PubChem CID935068
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccc[nH]2)cn1
InChIInChI=1S/C12H12N4O/c1-9-4-5-10(7-14-9)12(17)16-15-8-11-3-2-6-13-11/h2-8,13H,1H3,(H,16,17)
InChIKeyBVRMQOJUWNDTEL-UHFFFAOYSA-N
XLogP1.48
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135521573
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135801543
4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 136742500
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
3,5-ditert-butyl-4-hydroxy-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 139795288
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135696885
2-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135688246
6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 677340

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide (CID 935068) is 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide is Cc1ccc(C(=O)NN=Cc2ccc[nH]2)cn1.
What is the InChIKey of 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide?
The InChIKey is BVRMQOJUWNDTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-4-5-10(7-14-9)12(17)16-15-8-11-3-2-6-13-11/h2-8,13H,1H3,(H,16,17).
What are the key properties of 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide?
6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide has a molecular weight of 228.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide is sourced from PubChem (CID 935068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).