N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide

C13H17N5O — CID 103469010

IUPACN-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncc(C#N)cc2N)CC1
InChIInChI=1S/C13H17N5O/c1-9(19)17-11-2-4-18(5-3-11)13-12(15)6-10(7-14)8-16-13/h6,8,11H,2-5,15H2,1H3,(H,17,19)
InChIKeyAQCOTSJASFKBFU-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.64
Rot. Bonds2

About N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide

N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide (PubChem CID 103469010) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
PubChem CID103469010
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncc(C#N)cc2N)CC1
InChIInChI=1S/C13H17N5O/c1-9(19)17-11-2-4-18(5-3-11)13-12(15)6-10(7-14)8-16-13/h6,8,11H,2-5,15H2,1H3,(H,17,19)
InChIKeyAQCOTSJASFKBFU-UHFFFAOYSA-N
XLogP0.64
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 103467481
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
5-amino-6-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 103467569
N-[1-(3-bromo-5-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 102817208
N-[1-(3-cyano-5-fluorophenyl)pyrrolidin-3-yl]acetamide
CID 102817209
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 107058314
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
6-chloropyridine-3-carbonitrile;N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]acetamide;N-piperidin-4-ylacetamide
CID 158084362
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate
CID 170906680
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
CID 71063607
5-amino-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 103469314

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide (CID 103469010) is N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2ncc(C#N)cc2N)CC1.
What is the InChIKey of N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide?
The InChIKey is AQCOTSJASFKBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(19)17-11-2-4-18(5-3-11)13-12(15)6-10(7-14)8-16-13/h6,8,11H,2-5,15H2,1H3,(H,17,19).
What are the key properties of N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide?
N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-5-cyano-2-pyridinyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 103469010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).