2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

C13H17N5O — CID 86720900

IUPAC2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCN1CCN(c2ccncc2NC(=O)CC#N)CC1
InChIInChI=1S/C13H17N5O/c1-17-6-8-18(9-7-17)12-3-5-15-10-11(12)16-13(19)2-4-14/h3,5,10H,2,6-9H2,1H3,(H,16,19)
InChIKeyKUEGORWMOXVBGC-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.69
Rot. Bonds3

About 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 86720900) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID86720900
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCN1CCN(c2ccncc2NC(=O)CC#N)CC1
InChIInChI=1S/C13H17N5O/c1-17-6-8-18(9-7-17)12-3-5-15-10-11(12)16-13(19)2-4-14/h3,5,10H,2,6-9H2,1H3,(H,16,19)
InChIKeyKUEGORWMOXVBGC-UHFFFAOYSA-N
XLogP0.69
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629
2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168524286
2-amino-6-(cyanomethyl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74763446
N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrido[2,3-b]pyrazine-6-carboxamide
CID 167910337
2-amino-6-(2-cyanopropan-2-yl)-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199868
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549
2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
CID 168523631
5-bromo-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 176656250
2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189900
2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168523364
N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-3-yloxybenzamide
CID 47993620

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (CID 86720900) is 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is CN1CCN(c2ccncc2NC(=O)CC#N)CC1.
What is the InChIKey of 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is KUEGORWMOXVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-6-8-18(9-7-17)12-3-5-15-10-11(12)16-13(19)2-4-14/h3,5,10H,2,6-9H2,1H3,(H,16,19).
What are the key properties of 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 86720900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).