2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide

C13H19N3O2 — CID 81052498

IUPAC2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide
SMILESCc1cc(OCC2CCNC2)c(C(N)=O)c(C)n1
InChIInChI=1S/C13H19N3O2/c1-8-5-11(12(13(14)17)9(2)16-8)18-7-10-3-4-15-6-10/h5,10,15H,3-4,6-7H2,1-2H3,(H2,14,17)
InChIKeyJAXXYGRZKRVNGU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds4

About 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide

2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide (PubChem CID 81052498) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide
PubChem CID81052498
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide
SMILESCc1cc(OCC2CCNC2)c(C(N)=O)c(C)n1
InChIInChI=1S/C13H19N3O2/c1-8-5-11(12(13(14)17)9(2)16-8)18-7-10-3-4-15-6-10/h5,10,15H,3-4,6-7H2,1-2H3,(H2,14,17)
InChIKeyJAXXYGRZKRVNGU-UHFFFAOYSA-N
XLogP0.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-(pyrrolidin-3-ylmethoxy)pyrazole-4-carboxamide
CID 63757374
4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 94408418
4-(cyclopentylmethoxy)-2,6-dimethylpyridine-3-carbothioamide
CID 81053956
2,4-dimethyl-6-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 62371609
6-methyl-2-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796426
4-[ethyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 81035524
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(pyrrolidin-3-ylmethoxy)benzamide
CID 58196953
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
CID 55064372
2,6-dimethyl-4-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxamide
CID 81036507
2-(pyrrolidin-3-ylmethoxy)quinoline-4-carboxamide
CID 63886225

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide (CID 81052498) is 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide is Cc1cc(OCC2CCNC2)c(C(N)=O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is JAXXYGRZKRVNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-11(12(13(14)17)9(2)16-8)18-7-10-3-4-15-6-10/h5,10,15H,3-4,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide?
2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(pyrrolidin-3-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 81052498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).