5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide

C13H20N4O — CID 81316570

IUPAC5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(N)cn2)CC1
InChIInChI=1S/C13H20N4O/c1-17-6-4-10(5-7-17)8-16-13(18)12-3-2-11(14)9-15-12/h2-3,9-10H,4-8,14H2,1H3,(H,16,18)
InChIKeyNXKMQKGHWDGHNA-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.74
Rot. Bonds3

About 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide

5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 81316570) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID81316570
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(N)cn2)CC1
InChIInChI=1S/C13H20N4O/c1-17-6-4-10(5-7-17)8-16-13(18)12-3-2-11(14)9-15-12/h2-3,9-10H,4-8,14H2,1H3,(H,16,18)
InChIKeyNXKMQKGHWDGHNA-UHFFFAOYSA-N
XLogP0.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide (CID 81316570) is 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide is CN1CCC(CNC(=O)c2ccc(N)cn2)CC1.
What is the InChIKey of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is NXKMQKGHWDGHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-6-4-10(5-7-17)8-16-13(18)12-3-2-11(14)9-15-12/h2-3,9-10H,4-8,14H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 81316570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).