4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

C12H17N3O — CID 166178324

IUPAC4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCc1cc(C)nc(C(=O)NC2CCNC2)c1
InChIInChI=1S/C12H17N3O/c1-8-5-9(2)14-11(6-8)12(16)15-10-3-4-13-7-10/h5-6,10,13H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyURBGHWCCROKIKL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.79
Rot. Bonds2

About 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (PubChem CID 166178324) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
PubChem CID166178324
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCc1cc(C)nc(C(=O)NC2CCNC2)c1
InChIInChI=1S/C12H17N3O/c1-8-5-9(2)14-11(6-8)12(16)15-10-3-4-13-7-10/h5-6,10,13H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyURBGHWCCROKIKL-UHFFFAOYSA-N
XLogP0.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
1,3,5-trimethyl-2,4-dioxo-N-piperidin-3-ylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 119424751
N-[(3R)-pyrrolidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 79685297
N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 62378974
2-amino-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
CID 142582873
6-methyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119449551
2,4-dimethyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide
CID 81478965
2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (CID 166178324) is 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is Cc1cc(C)nc(C(=O)NC2CCNC2)c1.
What is the InChIKey of 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The InChIKey is URBGHWCCROKIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-5-9(2)14-11(6-8)12(16)15-10-3-4-13-7-10/h5-6,10,13H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 166178324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).