N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide

C15H22N2O2 — CID 118770054

IUPACN-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide
SMILESCCC(NC(=O)C1CCOCC1)c1cc(C)ccn1
InChIInChI=1S/C15H22N2O2/c1-3-13(14-10-11(2)4-7-16-14)17-15(18)12-5-8-19-9-6-12/h4,7,10,12-13H,3,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyVMQMURRCLMLGDC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide

N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide (PubChem CID 118770054) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide
PubChem CID118770054
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide
SMILESCCC(NC(=O)C1CCOCC1)c1cc(C)ccn1
InChIInChI=1S/C15H22N2O2/c1-3-13(14-10-11(2)4-7-16-14)17-15(18)12-5-8-19-9-6-12/h4,7,10,12-13H,3,5-6,8-9H2,1-2H3,(H,17,18)
InChIKeyVMQMURRCLMLGDC-UHFFFAOYSA-N
XLogP2.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide?
The IUPAC name of N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide (CID 118770054) is N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide is CCC(NC(=O)C1CCOCC1)c1cc(C)ccn1.
What is the InChIKey of N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide?
The InChIKey is VMQMURRCLMLGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13(14-10-11(2)4-7-16-14)17-15(18)12-5-8-19-9-6-12/h4,7,10,12-13H,3,5-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide?
N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-2-pyridinyl)propyl]oxane-4-carboxamide is sourced from PubChem (CID 118770054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).