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

C18H21N3O3 — CID 47067173

IUPACN-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c(C)o1
InChIInChI=1S/C18H21N3O3/c1-12-11-16(13(2)24-12)18(23)21-9-5-15(6-10-21)20-17(22)14-3-7-19-8-4-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,20,22)
InChIKeyPMKOVXOVKJMVEH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.33
Rot. Bonds3

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

N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 47067173) 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-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID47067173
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c(C)o1
InChIInChI=1S/C18H21N3O3/c1-12-11-16(13(2)24-12)18(23)21-9-5-15(6-10-21)20-17(22)14-3-7-19-8-4-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,20,22)
InChIKeyPMKOVXOVKJMVEH-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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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562435
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 71879750
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 99816350
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
N-[1-[(3-methyl-1,2-oxazol-5-yl)carbamoyl]piperidin-4-yl]pyridine-4-carboxamide
CID 167954950
(2,5-dimethylfuran-3-yl)-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 71998532
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
4-methyl-N-[1-(1-pyridin-4-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 154788476
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide (CID 47067173) is N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide is Cc1cc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is PMKOVXOVKJMVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-11-16(13(2)24-12)18(23)21-9-5-15(6-10-21)20-17(22)14-3-7-19-8-4-14/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 47067173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).