6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid

C12H17N3O2 — CID 155071902

IUPAC6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
SMILESCC1=C(C2=CCNCC2)CN(C(=O)O)C(N)=C1
InChIInChI=1S/C12H17N3O2/c1-8-6-11(13)15(12(16)17)7-10(8)9-2-4-14-5-3-9/h2,6,14H,3-5,7,13H2,1H3,(H,16,17)
InChIKeyWIFQPNZDGXLJBE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.02
Rot. Bonds1

About 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid

6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid (PubChem CID 155071902) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
PubChem CID155071902
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
SMILESCC1=C(C2=CCNCC2)CN(C(=O)O)C(N)=C1
InChIInChI=1S/C12H17N3O2/c1-8-6-11(13)15(12(16)17)7-10(8)9-2-4-14-5-3-9/h2,6,14H,3-5,7,13H2,1H3,(H,16,17)
InChIKeyWIFQPNZDGXLJBE-UHFFFAOYSA-N
XLogP1.02
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid (CID 155071902) is 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid is CC1=C(C2=CCNCC2)CN(C(=O)O)C(N)=C1.
What is the InChIKey of 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid?
The InChIKey is WIFQPNZDGXLJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-11(13)15(12(16)17)7-10(8)9-2-4-14-5-3-9/h2,6,14H,3-5,7,13H2,1H3,(H,16,17).
What are the key properties of 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid?
6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 155071902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).