2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde

C14H16N2OS — CID 114055506

IUPAC2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
SMILESCC(C)N(Cc1cccs1)c1ncccc1C=O
InChIInChI=1S/C14H16N2OS/c1-11(2)16(9-13-6-4-8-18-13)14-12(10-17)5-3-7-15-14/h3-8,10-11H,9H2,1-2H3
InChIKeyDIPWHAIYNGUPHD-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.37
Rot. Bonds5

About 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde

2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde (PubChem CID 114055506) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
PubChem CID114055506
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde
SMILESCC(C)N(Cc1cccs1)c1ncccc1C=O
InChIInChI=1S/C14H16N2OS/c1-11(2)16(9-13-6-4-8-18-13)14-12(10-17)5-3-7-15-14/h3-8,10-11H,9H2,1-2H3
InChIKeyDIPWHAIYNGUPHD-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.37
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

2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbothioamide
CID 61452711
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451
4-[propan-2-yl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 54946766
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
3-chloro-N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739374
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 54946484
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
4-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 54948539
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
4-tert-butyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63512891

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde (CID 114055506) is 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde is CC(C)N(Cc1cccs1)c1ncccc1C=O.
What is the InChIKey of 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde?
The InChIKey is DIPWHAIYNGUPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11(2)16(9-13-6-4-8-18-13)14-12(10-17)5-3-7-15-14/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde?
2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde has a molecular weight of 260.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 114055506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).