2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide

C21H24N6O2S — CID 122526792

IUPAC2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide
SMILESCN1CCN(c2ncc(Sc3cc(NC(=O)CN)ccn3)cc2-c2ccco2)CC1
InChIInChI=1S/C21H24N6O2S/c1-26-6-8-27(9-7-26)21-17(18-3-2-10-29-18)12-16(14-24-21)30-20-11-15(4-5-23-20)25-19(28)13-22/h2-5,10-12,14H,6-9,13,22H2,1H3,(H,23,25,28)
InChIKeyVSHXXYQCXGBVLD-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.54
Rot. Bonds6

About 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide

2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide (PubChem CID 122526792) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide
PubChem CID122526792
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide
SMILESCN1CCN(c2ncc(Sc3cc(NC(=O)CN)ccn3)cc2-c2ccco2)CC1
InChIInChI=1S/C21H24N6O2S/c1-26-6-8-27(9-7-26)21-17(18-3-2-10-29-18)12-16(14-24-21)30-20-11-15(4-5-23-20)25-19(28)13-22/h2-5,10-12,14H,6-9,13,22H2,1H3,(H,23,25,28)
InChIKeyVSHXXYQCXGBVLD-UHFFFAOYSA-N
XLogP2.54
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide with MolForge

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Related Compounds

ethyl 2-(furan-2-yl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 59517674
2-amino-N-[3-[4-cyclohexyloxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide
CID 66973909
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24665733
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236
2-amino-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 39181745
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24664084
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
CID 91967980
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
5-(furan-2-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
CID 86992665
3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 24586512
N-(3-cyanophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7816891

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide (CID 122526792) is 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide is CN1CCN(c2ncc(Sc3cc(NC(=O)CN)ccn3)cc2-c2ccco2)CC1.
What is the InChIKey of 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide?
The InChIKey is VSHXXYQCXGBVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-26-6-8-27(9-7-26)21-17(18-3-2-10-29-18)12-16(14-24-21)30-20-11-15(4-5-23-20)25-19(28)13-22/h2-5,10-12,14H,6-9,13,22H2,1H3,(H,23,25,28).
What are the key properties of 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide?
2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide has a molecular weight of 424.53 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[5-(furan-2-yl)-6-(4-methylpiperazin-1-yl)-3-pyridinyl]sulfanyl]-4-pyridinyl]acetamide is sourced from PubChem (CID 122526792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).