6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine

C16H22N4 — CID 162109522

IUPAC6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine
SMILES[C-]#[N+]c1c(C)cc(N2CC(CC)C2)nc1N1CCC1C
InChIInChI=1S/C16H22N4/c1-5-13-9-19(10-13)14-8-11(2)15(17-4)16(18-14)20-7-6-12(20)3/h8,12-13H,5-7,9-10H2,1-3H3
InChIKeyZFYRGVLBKHBXCH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.39
Rot. Bonds3

About 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine

6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine (PubChem CID 162109522) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine.

Molecular Properties

Compound Name6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine
PubChem CID162109522
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine
SMILES[C-]#[N+]c1c(C)cc(N2CC(CC)C2)nc1N1CCC1C
InChIInChI=1S/C16H22N4/c1-5-13-9-19(10-13)14-8-11(2)15(17-4)16(18-14)20-7-6-12(20)3/h8,12-13H,5-7,9-10H2,1-3H3
InChIKeyZFYRGVLBKHBXCH-UHFFFAOYSA-N
XLogP3.39
TPSA23.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine
CID 157417364
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
methyl 2-[1-[5,5-difluoro-4-isocyano-3-[(2S)-2-methylazetidin-1-yl]-6,7-dihydrocyclopenta[c]pyridin-1-yl]azetidin-3-yl]acetate
CID 170939426
2-[(1R,5S)-3-[2-methyl-6-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 174197461
6-(3-ethylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 79173430
2-[1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 175435462
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
[2-(3-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 113418483
6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80793429
ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 170578415
2-[3-[5,5-difluoro-4-isocyano-3-(2-methylazetidin-1-yl)-6,7-dihydrocyclopenta[c]pyridin-1-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid
CID 170939472
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine?
The IUPAC name of 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine (CID 162109522) is 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine.
What is the SMILES notation for 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine?
The canonical SMILES for 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine is [C-]#[N+]c1c(C)cc(N2CC(CC)C2)nc1N1CCC1C.
What is the InChIKey of 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine?
The InChIKey is ZFYRGVLBKHBXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-13-9-19(10-13)14-8-11(2)15(17-4)16(18-14)20-7-6-12(20)3/h8,12-13H,5-7,9-10H2,1-3H3.
What are the key properties of 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine?
6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine has a molecular weight of 270.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine is sourced from PubChem (CID 162109522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).