3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide

C22H28N4O2 — CID 72839211

IUPAC3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)c2cccc(N)n2)CC1
InChIInChI=1S/C22H28N4O2/c1-25(16-18-6-3-2-4-7-18)21(27)11-10-17-12-14-26(15-13-17)22(28)19-8-5-9-20(23)24-19/h2-9,17H,10-16H2,1H3,(H2,23,24)
InChIKeyOMZRZWUQAKRVRG-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.95
Rot. Bonds6

About 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide

3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide (PubChem CID 72839211) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
PubChem CID72839211
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)c2cccc(N)n2)CC1
InChIInChI=1S/C22H28N4O2/c1-25(16-18-6-3-2-4-7-18)21(27)11-10-17-12-14-26(15-13-17)22(28)19-8-5-9-20(23)24-19/h2-9,17H,10-16H2,1H3,(H2,23,24)
InChIKeyOMZRZWUQAKRVRG-UHFFFAOYSA-N
XLogP2.95
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide (CID 72839211) is 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCC1CCN(C(=O)c2cccc(N)n2)CC1.
What is the InChIKey of 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide?
The InChIKey is OMZRZWUQAKRVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25(16-18-6-3-2-4-7-18)21(27)11-10-17-12-14-26(15-13-17)22(28)19-8-5-9-20(23)24-19/h2-9,17H,10-16H2,1H3,(H2,23,24).
What are the key properties of 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide?
3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-aminopyridine-2-carbonyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 72839211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).