6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid

C12H19N3O2 — CID 155071897

IUPAC6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid
SMILESCC1=C(C2CCNCC2)CN(C(=O)O)C(N)=C1
InChIInChI=1S/C12H19N3O2/c1-8-6-11(13)15(12(16)17)7-10(8)9-2-4-14-5-3-9/h6,9,14H,2-5,7,13H2,1H3,(H,16,17)
InChIKeyDLDIVGVPEPNLIN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.10
Rot. Bonds1

About 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid

6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid (PubChem CID 155071897) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid
PubChem CID155071897
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid
SMILESCC1=C(C2CCNCC2)CN(C(=O)O)C(N)=C1
InChIInChI=1S/C12H19N3O2/c1-8-6-11(13)15(12(16)17)7-10(8)9-2-4-14-5-3-9/h6,9,14H,2-5,7,13H2,1H3,(H,16,17)
InChIKeyDLDIVGVPEPNLIN-UHFFFAOYSA-N
XLogP1.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-amino-3-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 138675035
6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid
CID 155071889
6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
CID 155071902

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid (CID 155071897) is 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid is CC1=C(C2CCNCC2)CN(C(=O)O)C(N)=C1.
What is the InChIKey of 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid?
The InChIKey is DLDIVGVPEPNLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-6-11(13)15(12(16)17)7-10(8)9-2-4-14-5-3-9/h6,9,14H,2-5,7,13H2,1H3,(H,16,17).
What are the key properties of 6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid?
6-amino-4-methyl-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.10, 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-piperidin-4-yl-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 155071897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).