6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide

C13H13N3O2 — CID 677340

IUPAC6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(C)o2)cn1
InChIInChI=1S/C13H13N3O2/c1-9-3-5-11(7-14-9)13(17)16-15-8-12-6-4-10(2)18-12/h3-8H,1-2H3,(H,16,17)
InChIKeyKLCRYGLHOJKVEU-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.06
Rot. Bonds3

About 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide

6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 677340) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID677340
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(C)o2)cn1
InChIInChI=1S/C13H13N3O2/c1-9-3-5-11(7-14-9)13(17)16-15-8-12-6-4-10(2)18-12/h3-8H,1-2H3,(H,16,17)
InChIKeyKLCRYGLHOJKVEU-UHFFFAOYSA-N
XLogP2.06
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(5-iodofuran-2-yl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 1244708
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 689480
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6863548
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 1390262
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6862986

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide (CID 677340) is 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide is Cc1ccc(C(=O)NN=Cc2ccc(C)o2)cn1.
What is the InChIKey of 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is KLCRYGLHOJKVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-3-5-11(7-14-9)13(17)16-15-8-12-6-4-10(2)18-12/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide?
6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 677340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).