N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide

C16H18N4O3 — CID 25465509

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cn1
InChIInChI=1S/C16H18N4O3/c1-11-9-18-13(10-17-11)15(21)19-12-4-6-20(7-5-12)16(22)14-3-2-8-23-14/h2-3,8-10,12H,4-7H2,1H3,(H,19,21)
InChIKeyCTLMDEMCELSPOX-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.41
Rot. Bonds3

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 25465509) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide
PubChem CID25465509
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cn1
InChIInChI=1S/C16H18N4O3/c1-11-9-18-13(10-17-11)15(21)19-12-4-6-20(7-5-12)16(22)14-3-2-8-23-14/h2-3,8-10,12H,4-7H2,1H3,(H,19,21)
InChIKeyCTLMDEMCELSPOX-UHFFFAOYSA-N
XLogP1.41
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide (CID 25465509) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cn1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is CTLMDEMCELSPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-9-18-13(10-17-11)15(21)19-12-4-6-20(7-5-12)16(22)14-3-2-8-23-14/h2-3,8-10,12H,4-7H2,1H3,(H,19,21).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 25465509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).