6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde

C13H14N2O2 — CID 80637621

IUPAC6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde
SMILESCc1ccc(CN(C)c2ccc(C=O)cn2)o1
InChIInChI=1S/C13H14N2O2/c1-10-3-5-12(17-10)8-15(2)13-6-4-11(9-16)7-14-13/h3-7,9H,8H2,1-2H3
InChIKeyILINJBIZNFBZDD-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.43
Rot. Bonds4

About 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde

6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde (PubChem CID 80637621) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde
PubChem CID80637621
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde
SMILESCc1ccc(CN(C)c2ccc(C=O)cn2)o1
InChIInChI=1S/C13H14N2O2/c1-10-3-5-12(17-10)8-15(2)13-6-4-11(9-16)7-14-13/h3-7,9H,8H2,1-2H3
InChIKeyILINJBIZNFBZDD-UHFFFAOYSA-N
XLogP2.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280275
5-[methyl-[(5-methylfuran-2-yl)methyl]amino]furan-2-carbaldehyde
CID 62120178
[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrazin-2-yl]methanol
CID 66466599
N-methyl-6-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 62280117
2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
CID 80637138
5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 114054145
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 55038712
2-[(5-formyl-2-pyridinyl)-methylamino]-N-methylacetamide
CID 80637307
4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 43526378
6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
CID 165394332

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde (CID 80637621) is 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde is Cc1ccc(CN(C)c2ccc(C=O)cn2)o1.
What is the InChIKey of 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde?
The InChIKey is ILINJBIZNFBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-3-5-12(17-10)8-15(2)13-6-4-11(9-16)7-14-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde?
6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80637621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).