5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid

C14H21N3O2 — CID 145269273

IUPAC5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid
SMILESCC.Cc1cc(C2=CCCN=C2)cnc1N.O=CO
InChIInChI=1S/C11H13N3.C2H6.CH2O2/c1-8-5-10(7-14-11(8)12)9-3-2-4-13-6-9;1-2;2-1-3/h3,5-7H,2,4H2,1H3,(H2,12,14);1-2H3;1H,(H,2,3)
InChIKeyJAHPMXVDJXLHQR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds1

About 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid

5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid (PubChem CID 145269273) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid.

Molecular Properties

Compound Name5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid
PubChem CID145269273
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid
SMILESCC.Cc1cc(C2=CCCN=C2)cnc1N.O=CO
InChIInChI=1S/C11H13N3.C2H6.CH2O2/c1-8-5-10(7-14-11(8)12)9-3-2-4-13-6-9;1-2;2-1-3/h3,5-7H,2,4H2,1H3,(H2,12,14);1-2H3;1H,(H,2,3)
InChIKeyJAHPMXVDJXLHQR-UHFFFAOYSA-N
XLogP2.56
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethylphenyl)-3-methylpyridin-2-amine
CID 83170241
3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridin-2-amine
CID 102542767
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
5-(5-fluoro-3-pyridinyl)-3-methylpyridin-2-amine
CID 83171111
3-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 80505501
4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde
CID 135192761
6-amino-N,N,5-trimethylpyridine-3-carboxamide;ethane
CID 178150598
5-(furan-3-yl)-3-methylpyridin-2-amine
CID 83170875
5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine
CID 83170014
5-(3-chloro-4-methylphenyl)-3-methylpyridin-2-amine
CID 83171115
3-methyl-5-(1-methylimidazol-2-yl)pyridin-2-amine
CID 83171112
2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859817

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid?
The IUPAC name of 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid (CID 145269273) is 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid.
What is the SMILES notation for 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid?
The canonical SMILES for 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid is CC.Cc1cc(C2=CCCN=C2)cnc1N.O=CO.
What is the InChIKey of 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid?
The InChIKey is JAHPMXVDJXLHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.C2H6.CH2O2/c1-8-5-10(7-14-11(8)12)9-3-2-4-13-6-9;1-2;2-1-3/h3,5-7H,2,4H2,1H3,(H2,12,14);1-2H3;1H,(H,2,3).
What are the key properties of 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid?
5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid has a molecular weight of 263.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid is sourced from PubChem (CID 145269273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).