1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide

C17H20N4O3 — CID 56887634

IUPAC1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CNCCN2C(=O)c2occc2C)cn1
InChIInChI=1S/C17H20N4O3/c1-11-5-8-24-15(11)17(23)21-7-6-18-10-14(21)16(22)20-13-4-3-12(2)19-9-13/h3-5,8-9,14,18H,6-7,10H2,1-2H3,(H,20,22)
InChIKeyUXTUUDUXHJFYIW-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.34
Rot. Bonds3

About 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide

1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide (PubChem CID 56887634) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide
PubChem CID56887634
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CNCCN2C(=O)c2occc2C)cn1
InChIInChI=1S/C17H20N4O3/c1-11-5-8-24-15(11)17(23)21-7-6-18-10-14(21)16(22)20-13-4-3-12(2)19-9-13/h3-5,8-9,14,18H,6-7,10H2,1-2H3,(H,20,22)
InChIKeyUXTUUDUXHJFYIW-UHFFFAOYSA-N
XLogP1.34
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide
CID 95725095
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 120736698
N-ethyl-1-(4-methyl-1,2-oxazole-5-carbonyl)piperazine-2-carboxamide
CID 66334816
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764
[(8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 133142985
(2S)-1-(3-methylfuran-2-carbonyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 95557246
3,9-diazabicyclo[4.2.1]nonan-9-yl-(3-methylfuran-2-yl)methanone
CID 75595619
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 82830583
(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide
CID 72855349
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide
CID 95723495

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide?
The IUPAC name of 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide (CID 56887634) is 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide is Cc1ccc(NC(=O)C2CNCCN2C(=O)c2occc2C)cn1.
What is the InChIKey of 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide?
The InChIKey is UXTUUDUXHJFYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-5-8-24-15(11)17(23)21-7-6-18-10-14(21)16(22)20-13-4-3-12(2)19-9-13/h3-5,8-9,14,18H,6-7,10H2,1-2H3,(H,20,22).
What are the key properties of 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide?
1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide is sourced from PubChem (CID 56887634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).