N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C18H21N3O3 — CID 56819892

IUPACN-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)c(C)o1
InChIInChI=1S/C18H21N3O3/c1-12-10-16(13(2)24-12)18(23)21-8-5-15(6-9-21)20-17(22)14-4-3-7-19-11-14/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3,(H,20,22)
InChIKeyUMFCMNGZLUSDDL-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.33
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 56819892) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID56819892
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)c(C)o1
InChIInChI=1S/C18H21N3O3/c1-12-10-16(13(2)24-12)18(23)21-8-5-15(6-9-21)20-17(22)14-4-3-7-19-11-14/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3,(H,20,22)
InChIKeyUMFCMNGZLUSDDL-UHFFFAOYSA-N
XLogP2.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 56819892) is N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1cc(C(=O)N2CCC(NC(=O)c3cccnc3)CC2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is UMFCMNGZLUSDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-10-16(13(2)24-12)18(23)21-8-5-15(6-9-21)20-17(22)14-4-3-7-19-11-14/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56819892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).