1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine

C13H17N3 — CID 123906802

IUPAC1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine
SMILES[H]/N=C1\C=C(c2cccnc2)N(C)C(C)C1C
InChIInChI=1S/C13H17N3/c1-9-10(2)16(3)13(7-12(9)14)11-5-4-6-15-8-11/h4-10,14H,1-3H3/b14-12+
InChIKeyRZBITPCXHUCRDF-WYMLVPIESA-N
MW215.30 g/mol
LogP2.41
Rot. Bonds1

About 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine

1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine (PubChem CID 123906802) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine.

Molecular Properties

Compound Name1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine
PubChem CID123906802
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine
SMILES[H]/N=C1\C=C(c2cccnc2)N(C)C(C)C1C
InChIInChI=1S/C13H17N3/c1-9-10(2)16(3)13(7-12(9)14)11-5-4-6-15-8-11/h4-10,14H,1-3H3/b14-12+
InChIKeyRZBITPCXHUCRDF-WYMLVPIESA-N
XLogP2.41
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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3-(1-methyl(213C)pyrrol-2-yl)(2,3,4,5,6-13C5)pyridine
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ethane;3-(1-methyltriazol-4-yl)pyridine
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CID 86232079
2-methyl-5-phenyl-7-pyridin-3-yl-1,2-dihydropyrazolo[1,5-a]pyrimidine
CID 170092907
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
3-(1-methyl-5-propan-2-yl-4,5-dihydroimidazol-2-yl)pyridine
CID 14089492
1,2,6-trimethyl-4-(4-pyridin-3-ylphenyl)-4H-pyridine-3,5-dicarboxylic acid
CID 18956989
3-(2,3-dimethylimidazol-4-yl)pyridine
CID 44549702

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine?
The IUPAC name of 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine (CID 123906802) is 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine.
What is the SMILES notation for 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine?
The canonical SMILES for 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine is [H]/N=C1\C=C(c2cccnc2)N(C)C(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine?
The InChIKey is RZBITPCXHUCRDF-WYMLVPIESA-N. The full InChI is InChI=1S/C13H17N3/c1-9-10(2)16(3)13(7-12(9)14)11-5-4-6-15-8-11/h4-10,14H,1-3H3/b14-12+.
What are the key properties of 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine?
1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine has a molecular weight of 215.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-6-pyridin-3-yl-2,3-dihydropyridin-4-imine is sourced from PubChem (CID 123906802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).