N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide

C13H21N5O — CID 102735956

IUPACN-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(N)c(N)n2)CC1
InChIInChI=1S/C13H21N5O/c1-9(19)16-8-10-4-6-18(7-5-10)12-3-2-11(14)13(15)17-12/h2-3,10H,4-8,14H2,1H3,(H2,15,17)(H,16,19)
InChIKeySONSWNHYCYOXCX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds3

About N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide

N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102735956) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
PubChem CID102735956
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(N)c(N)n2)CC1
InChIInChI=1S/C13H21N5O/c1-9(19)16-8-10-4-6-18(7-5-10)12-3-2-11(14)13(15)17-12/h2-3,10H,4-8,14H2,1H3,(H2,15,17)(H,16,19)
InChIKeySONSWNHYCYOXCX-UHFFFAOYSA-N
XLogP0.60
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
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
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
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
6-[4-(dimethylamino)piperidin-1-yl]pyridine-2,3-diamine
CID 67292538
N-[[1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737052
2-[1-(5-amino-6-methoxy-2-pyridinyl)piperidin-4-yl]acetamide
CID 54989449
N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide
CID 103384866
N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102735880
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-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide (CID 102735956) is N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc(N)c(N)n2)CC1.
What is the InChIKey of N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is SONSWNHYCYOXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(19)16-8-10-4-6-18(7-5-10)12-3-2-11(14)13(15)17-12/h2-3,10H,4-8,14H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102735956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).