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

C13H19N3O2 — CID 25370039

IUPAC(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)[C@@H]1CCOC1
InChIInChI=1S/C13H19N3O2/c1-16(2)12-10(4-3-6-14-12)8-15-13(17)11-5-7-18-9-11/h3-4,6,11H,5,7-9H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyNBIGHHFKJOYNJR-LLVKDONJSA-N
MW249.31 g/mol
LogP0.80
Rot. Bonds4

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

(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide (PubChem CID 25370039) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
PubChem CID25370039
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)[C@@H]1CCOC1
InChIInChI=1S/C13H19N3O2/c1-16(2)12-10(4-3-6-14-12)8-15-13(17)11-5-7-18-9-11/h3-4,6,11H,5,7-9H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyNBIGHHFKJOYNJR-LLVKDONJSA-N
XLogP0.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 100746069
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948290
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
CID 29153314
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-9H-xanthene-9-carboxamide
CID 55692804
1-butylsulfonyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 55837999
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 92862538
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55692860
1-(2-bromophenyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55691905
4-N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 42565685

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide (CID 25370039) is (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide is CN(C)c1ncccc1CNC(=O)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The InChIKey is NBIGHHFKJOYNJR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(2)12-10(4-3-6-14-12)8-15-13(17)11-5-7-18-9-11/h3-4,6,11H,5,7-9H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide?
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 25370039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).