N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide

C17H20N4O3 — CID 71996598

IUPACN-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(N2CCN(C(=O)c3ccc(C)o3)CC2)n1
InChIInChI=1S/C17H20N4O3/c1-12-6-7-14(24-12)17(23)21-10-8-20(9-11-21)15-5-3-4-13(19-15)16(22)18-2/h3-7H,8-11H2,1-2H3,(H,18,22)
InChIKeyZRPUSYLKSCFFAC-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.31
Rot. Bonds3

About N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide

N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 71996598) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID71996598
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(N2CCN(C(=O)c3ccc(C)o3)CC2)n1
InChIInChI=1S/C17H20N4O3/c1-12-6-7-14(24-12)17(23)21-10-8-20(9-11-21)15-5-3-4-13(19-15)16(22)18-2/h3-7H,8-11H2,1-2H3,(H,18,22)
InChIKeyZRPUSYLKSCFFAC-UHFFFAOYSA-N
XLogP1.31
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide
CID 86964429
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 71996644
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43461990
(4-chlorophenyl)-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 46550663
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 133360859
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
6-morpholin-4-ylpyridine-2-carbohydrazide
CID 67450200

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide (CID 71996598) is N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1cccc(N2CCN(C(=O)c3ccc(C)o3)CC2)n1.
What is the InChIKey of N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is ZRPUSYLKSCFFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-6-7-14(24-12)17(23)21-10-8-20(9-11-21)15-5-3-4-13(19-15)16(22)18-2/h3-7H,8-11H2,1-2H3,(H,18,22).
What are the key properties of N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71996598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).