N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide

C13H20N4O — CID 102737048

IUPACN-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cccc(N)n2)CC1
InChIInChI=1S/C13H20N4O/c1-10(18)15-9-11-5-7-17(8-6-11)13-4-2-3-12(14)16-13/h2-4,11H,5-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyCXPFORQYURRMFS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.02
Rot. Bonds3

About N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide

N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102737048) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
PubChem CID102737048
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cccc(N)n2)CC1
InChIInChI=1S/C13H20N4O/c1-10(18)15-9-11-5-7-17(8-6-11)13-4-2-3-12(14)16-13/h2-4,11H,5-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyCXPFORQYURRMFS-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062
methyl N-[1-(6-amino-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 113402668
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine
CID 80653539
N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide
CID 23369515
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
6-(4-tert-butylpiperidin-1-yl)pyridin-2-amine
CID 80652934
N-[[1-[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736631

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide (CID 102737048) is N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cccc(N)n2)CC1.
What is the InChIKey of N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CXPFORQYURRMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(18)15-9-11-5-7-17(8-6-11)13-4-2-3-12(14)16-13/h2-4,11H,5-9H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102737048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).