4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide

C22H22N4O4 — CID 56510199

IUPAC4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3ccc(-c4ccco4)[nH]c3=O)CC2)c1
InChIInChI=1S/C22H22N4O4/c1-15-4-2-5-16(14-15)23-22(29)26-11-9-25(10-12-26)21(28)17-7-8-18(24-20(17)27)19-6-3-13-30-19/h2-8,13-14H,9-12H2,1H3,(H,23,29)(H,24,27)
InChIKeyXDZPBPPHWLMQCW-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.93
Rot. Bonds3

About 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide

4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 56510199) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID56510199
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(C(=O)c3ccc(-c4ccco4)[nH]c3=O)CC2)c1
InChIInChI=1S/C22H22N4O4/c1-15-4-2-5-16(14-15)23-22(29)26-11-9-25(10-12-26)21(28)17-7-8-18(24-20(17)27)19-6-3-13-30-19/h2-8,13-14H,9-12H2,1H3,(H,23,29)(H,24,27)
InChIKeyXDZPBPPHWLMQCW-UHFFFAOYSA-N
XLogP2.93
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55753141
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-(3-methylphenyl)-4-(4-methylthiophene-3-carbonyl)piperazine-1-carboxamide
CID 122146787
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 119410087
3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95977450
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
N-(3-methylphenyl)-4-(5-nitrothiophene-2-carbonyl)piperazine-1-carboxamide
CID 60502105
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765351
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-(3-methylphenyl)-4-(3-nitrobenzoyl)piperazine-1-carboxamide
CID 49467498
6-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55797116

Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide (CID 56510199) is 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(-c4ccco4)[nH]c3=O)CC2)c1.
What is the InChIKey of 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is XDZPBPPHWLMQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-15-4-2-5-16(14-15)23-22(29)26-11-9-25(10-12-26)21(28)17-7-8-18(24-20(17)27)19-6-3-13-30-19/h2-8,13-14H,9-12H2,1H3,(H,23,29)(H,24,27).
What are the key properties of 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56510199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).