N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide

C20H24N4O4 — CID 113029548

IUPACN-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cn1)C1CCOCC1
InChIInChI=1S/C20H24N4O4/c25-19(15-5-12-27-13-6-15)22-18-4-3-16(14-21-18)23-7-9-24(10-8-23)20(26)17-2-1-11-28-17/h1-4,11,14-15H,5-10,12-13H2,(H,21,22,25)
InChIKeyRKAVSGWLQQKABB-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.00
Rot. Bonds4

About N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide

N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113029548) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
PubChem CID113029548
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cn1)C1CCOCC1
InChIInChI=1S/C20H24N4O4/c25-19(15-5-12-27-13-6-15)22-18-4-3-16(14-21-18)23-7-9-24(10-8-23)20(26)17-2-1-11-28-17/h1-4,11,14-15H,5-10,12-13H2,(H,21,22,25)
InChIKeyRKAVSGWLQQKABB-UHFFFAOYSA-N
XLogP2.00
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029543
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
4-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113030831
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
N-[4-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55540208

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide (CID 113029548) is N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cn1)C1CCOCC1.
What is the InChIKey of N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is RKAVSGWLQQKABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-19(15-5-12-27-13-6-15)22-18-4-3-16(14-21-18)23-7-9-24(10-8-23)20(26)17-2-1-11-28-17/h1-4,11,14-15H,5-10,12-13H2,(H,21,22,25).
What are the key properties of N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide?
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113029548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).