6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide

C12H18N4O — CID 115313380

IUPAC6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CC(N)CCN1c1cccc(C(N)=O)n1
InChIInChI=1S/C12H18N4O/c1-8-7-9(13)5-6-16(8)11-4-2-3-10(15-11)12(14)17/h2-4,8-9H,5-7,13H2,1H3,(H2,14,17)
InChIKeyKIDBQRUGYJAEBX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.50
Rot. Bonds2

About 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide

6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 115313380) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID115313380
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CC(N)CCN1c1cccc(C(N)=O)n1
InChIInChI=1S/C12H18N4O/c1-8-7-9(13)5-6-16(8)11-4-2-3-10(15-11)12(14)17/h2-4,8-9H,5-7,13H2,1H3,(H2,14,17)
InChIKeyKIDBQRUGYJAEBX-UHFFFAOYSA-N
XLogP0.50
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 115313380) is 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide is CC1CC(N)CCN1c1cccc(C(N)=O)n1.
What is the InChIKey of 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is KIDBQRUGYJAEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-7-9(13)5-6-16(8)11-4-2-3-10(15-11)12(14)17/h2-4,8-9H,5-7,13H2,1H3,(H2,14,17).
What are the key properties of 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide?
6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 115313380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).