1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide

C13H20N4O — CID 114765128

IUPAC1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1cc(CN)cc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C13H20N4O/c1-9-5-10(7-14)6-12(16-9)17-4-2-3-11(8-17)13(15)18/h5-6,11H,2-4,7-8,14H2,1H3,(H2,15,18)
InChIKeyRWSJJMKPFJMYQG-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.55
Rot. Bonds3

About 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide

1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 114765128) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide
PubChem CID114765128
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide
SMILESCc1cc(CN)cc(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C13H20N4O/c1-9-5-10(7-14)6-12(16-9)17-4-2-3-11(8-17)13(15)18/h5-6,11H,2-4,7-8,14H2,1H3,(H2,15,18)
InChIKeyRWSJJMKPFJMYQG-UHFFFAOYSA-N
XLogP0.55
TPSA85.24 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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide (CID 114765128) is 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide is Cc1cc(CN)cc(N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is RWSJJMKPFJMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-10(7-14)6-12(16-9)17-4-2-3-11(8-17)13(15)18/h5-6,11H,2-4,7-8,14H2,1H3,(H2,15,18).
What are the key properties of 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide?
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-6-methyl-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 114765128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).