6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine

C17H24N4 — CID 157417364

IUPAC6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine
SMILES[C-]#[N+]c1c(C)cc(N2CCC(CC)C2)nc1N1CC[C@@H]1C
InChIInChI=1S/C17H24N4/c1-5-14-7-8-20(11-14)15-10-12(2)16(18-4)17(19-15)21-9-6-13(21)3/h10,13-14H,5-9,11H2,1-3H3/t13-,14?/m0/s1
InChIKeyBOZVVGQKXVKXMK-LSLKUGRBSA-N
MW284.41 g/mol
LogP3.78
Rot. Bonds3

About 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine

6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine (PubChem CID 157417364) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine.

Molecular Properties

Compound Name6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine
PubChem CID157417364
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine
SMILES[C-]#[N+]c1c(C)cc(N2CCC(CC)C2)nc1N1CC[C@@H]1C
InChIInChI=1S/C17H24N4/c1-5-14-7-8-20(11-14)15-10-12(2)16(18-4)17(19-15)21-9-6-13(21)3/h10,13-14H,5-9,11H2,1-3H3/t13-,14?/m0/s1
InChIKeyBOZVVGQKXVKXMK-LSLKUGRBSA-N
XLogP3.78
TPSA23.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-ethylazetidin-1-yl)-3-isocyano-4-methyl-2-(2-methylazetidin-1-yl)pyridine
CID 162109522
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 170578415
[2-(3-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 113418483
6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
6-(3-ethylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 79173430
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine
CID 113418493
6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80793429

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine?
The IUPAC name of 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine (CID 157417364) is 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine.
What is the SMILES notation for 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine?
The canonical SMILES for 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine is [C-]#[N+]c1c(C)cc(N2CCC(CC)C2)nc1N1CC[C@@H]1C.
What is the InChIKey of 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine?
The InChIKey is BOZVVGQKXVKXMK-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-14-7-8-20(11-14)15-10-12(2)16(18-4)17(19-15)21-9-6-13(21)3/h10,13-14H,5-9,11H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine?
6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine has a molecular weight of 284.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylpyrrolidin-1-yl)-3-isocyano-4-methyl-2-[(2S)-2-methylazetidin-1-yl]pyridine is sourced from PubChem (CID 157417364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).