6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde

C14H15N3O — CID 80632829

IUPAC6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde
SMILESCCN(Cc1ccccn1)c1ccc(C=O)cn1
InChIInChI=1S/C14H15N3O/c1-2-17(10-13-5-3-4-8-15-13)14-7-6-12(11-18)9-16-14/h3-9,11H,2,10H2,1H3
InChIKeyKYJBWPWSDTUMOO-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.32
Rot. Bonds5

About 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde

6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde (PubChem CID 80632829) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde
PubChem CID80632829
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde
SMILESCCN(Cc1ccccn1)c1ccc(C=O)cn1
InChIInChI=1S/C14H15N3O/c1-2-17(10-13-5-3-4-8-15-13)14-7-6-12(11-18)9-16-14/h3-9,11H,2,10H2,1H3
InChIKeyKYJBWPWSDTUMOO-UHFFFAOYSA-N
XLogP2.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.32
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
6-[ethyl(pyridin-2-ylmethyl)amino]pyridazine-3-carbonitrile
CID 133419199
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
N-ethyl-6-hydrazinyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80927004
5-[(cyclopropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 107380589
3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
CID 43565130
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607
N-phenyl-N-(pyridin-2-ylmethyl)formamide
CID 59806637
6-[propyl(2,2,2-trifluoroethyl)amino]pyridine-3-carbaldehyde
CID 80638350
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde (CID 80632829) is 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde is CCN(Cc1ccccn1)c1ccc(C=O)cn1.
What is the InChIKey of 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde?
The InChIKey is KYJBWPWSDTUMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-17(10-13-5-3-4-8-15-13)14-7-6-12(11-18)9-16-14/h3-9,11H,2,10H2,1H3.
What are the key properties of 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde?
6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 80632829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).