5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide

C22H28N6O2 — CID 11682945

IUPAC5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide
SMILESCC1CCN(c2nc(N3CCN(C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C22H28N6O2/c1-16-7-9-28(10-8-16)21-18(24-22(29)19-5-3-17(15-23)30-19)4-6-20(25-21)27-13-11-26(2)12-14-27/h3-6,16H,7-14H2,1-2H3,(H,24,29)
InChIKeyDXERWJSIFQBTCI-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.79
Rot. Bonds4

About 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide

5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide (PubChem CID 11682945) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide
PubChem CID11682945
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide
SMILESCC1CCN(c2nc(N3CCN(C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C22H28N6O2/c1-16-7-9-28(10-8-16)21-18(24-22(29)19-5-3-17(15-23)30-19)4-6-20(25-21)27-13-11-26(2)12-14-27/h3-6,16H,7-14H2,1-2H3,(H,24,29)
InChIKeyDXERWJSIFQBTCI-UHFFFAOYSA-N
XLogP2.79
TPSA88.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide with MolForge

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Related Compounds

5-cyano-N-[2-(4-fluoropiperidin-1-yl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 11540968
5-cyano-N-[2-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 11545796
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]furan-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 11714689
N-[4-[(5-cyanofuran-2-carbonyl)amino]-3-piperidin-1-ylphenyl]-N,4-dimethylpiperazine-1-carboxamide
CID 11698112
4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]-3H-pyrrole-2-carboxamide
CID 24883278
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108
5-cyano-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 11231718
5-cyano-N-[2-piperidin-1-yl-4-(sulfanylamino)phenyl]furan-2-carboxamide
CID 89085035
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 5144971
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 100685607
N-(4-cyanophenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364243
5-cyano-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboxamide
CID 10586174

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide (CID 11682945) is 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide is CC1CCN(c2nc(N3CCN(C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1.
What is the InChIKey of 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide?
The InChIKey is DXERWJSIFQBTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-16-7-9-28(10-8-16)21-18(24-22(29)19-5-3-17(15-23)30-19)4-6-20(25-21)27-13-11-26(2)12-14-27/h3-6,16H,7-14H2,1-2H3,(H,24,29).
What are the key properties of 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide?
5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[6-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 11682945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).