N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide

C15H22N4O2 — CID 86850853

IUPACN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CCOC3)nc2)CC1
InChIInChI=1S/C15H22N4O2/c1-18-5-7-19(8-6-18)13-2-3-14(16-10-13)17-15(20)12-4-9-21-11-12/h2-3,10,12H,4-9,11H2,1H3,(H,16,17,20)
InChIKeyKGGOAQSPXAXPCK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.81
Rot. Bonds3

About N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide

N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide (PubChem CID 86850853) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
PubChem CID86850853
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CCOC3)nc2)CC1
InChIInChI=1S/C15H22N4O2/c1-18-5-7-19(8-6-18)13-2-3-14(16-10-13)17-15(20)12-4-9-21-11-12/h2-3,10,12H,4-9,11H2,1H3,(H,16,17,20)
InChIKeyKGGOAQSPXAXPCK-UHFFFAOYSA-N
XLogP0.81
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113030831
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
2,2-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 47215724
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122299154
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
N-(5-piperidin-1-yl-2-pyridinyl)morpholine-3-carboxamide
CID 119855637

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide (CID 86850853) is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide is CN1CCN(c2ccc(NC(=O)C3CCOC3)nc2)CC1.
What is the InChIKey of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide?
The InChIKey is KGGOAQSPXAXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18-5-7-19(8-6-18)13-2-3-14(16-10-13)17-15(20)12-4-9-21-11-12/h2-3,10,12H,4-9,11H2,1H3,(H,16,17,20).
What are the key properties of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide?
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 86850853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).