N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide

C15H23N3O2 — CID 45242735

IUPACN-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
SMILESCCN(CC)c1ncccc1CNC(=O)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-3-18(4-2)14-12(6-5-8-16-14)10-17-15(19)13-7-9-20-11-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,17,19)
InChIKeyLIHGKDVESLBUCP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.58
Rot. Bonds6

About N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide

N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide (PubChem CID 45242735) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
PubChem CID45242735
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
SMILESCCN(CC)c1ncccc1CNC(=O)C1CCOC1
InChIInChI=1S/C15H23N3O2/c1-3-18(4-2)14-12(6-5-8-16-14)10-17-15(19)13-7-9-20-11-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,17,19)
InChIKeyLIHGKDVESLBUCP-UHFFFAOYSA-N
XLogP1.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide (CID 45242735) is N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide is CCN(CC)c1ncccc1CNC(=O)C1CCOC1.
What is the InChIKey of N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The InChIKey is LIHGKDVESLBUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-18(4-2)14-12(6-5-8-16-14)10-17-15(19)13-7-9-20-11-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,17,19).
What are the key properties of N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide?
N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 45242735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).