N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide

C19H24N6O2 — CID 113029655

IUPACN-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncccn3)CC2)cn1)C1CCOCC1
InChIInChI=1S/C19H24N6O2/c26-18(15-4-12-27-13-5-15)23-17-3-2-16(14-22-17)24-8-10-25(11-9-24)19-20-6-1-7-21-19/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,23,26)
InChIKeyDLHOHUBIYXCYKA-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.56
Rot. Bonds4

About N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide

N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 113029655) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID113029655
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ncccn3)CC2)cn1)C1CCOCC1
InChIInChI=1S/C19H24N6O2/c26-18(15-4-12-27-13-5-15)23-17-3-2-16(14-22-17)24-8-10-25(11-9-24)19-20-6-1-7-21-19/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,23,26)
InChIKeyDLHOHUBIYXCYKA-UHFFFAOYSA-N
XLogP1.56
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548
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-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 82034862
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide (CID 113029655) is N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide is O=C(Nc1ccc(N2CCN(c3ncccn3)CC2)cn1)C1CCOCC1.
What is the InChIKey of N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is DLHOHUBIYXCYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-18(15-4-12-27-13-5-15)23-17-3-2-16(14-22-17)24-8-10-25(11-9-24)19-20-6-1-7-21-19/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,23,26).
What are the key properties of N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide?
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113029655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).