N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C16H20N4O2 — CID 84574054

IUPACN-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)NCc3ccco3)n2)CC1
InChIInChI=1S/C16H20N4O2/c1-19-7-9-20(10-8-19)15-6-2-5-14(18-15)16(21)17-12-13-4-3-11-22-13/h2-6,11H,7-10,12H2,1H3,(H,17,21)
InChIKeyZAUMGVWKDSFGGE-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.36
Rot. Bonds4

About N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 84574054) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID84574054
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2cccc(C(=O)NCc3ccco3)n2)CC1
InChIInChI=1S/C16H20N4O2/c1-19-7-9-20(10-8-19)15-6-2-5-14(18-15)16(21)17-12-13-4-3-11-22-13/h2-6,11H,7-10,12H2,1H3,(H,17,21)
InChIKeyZAUMGVWKDSFGGE-UHFFFAOYSA-N
XLogP1.36
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853775
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
N-(2-hydroxypropyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575059
6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109097000
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-(furan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109097112
N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 109187612
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
5-(4-acetylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279162
6-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84574058
N-(furan-2-ylmethyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114455
5-(4-formylpiperazin-1-yl)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109278877

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 84574054) is N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CN1CCN(c2cccc(C(=O)NCc3ccco3)n2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is ZAUMGVWKDSFGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-7-9-20(10-8-19)15-6-2-5-14(18-15)16(21)17-12-13-4-3-11-22-13/h2-6,11H,7-10,12H2,1H3,(H,17,21).
What are the key properties of N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 84574054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).