(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone

C13H19N3O — CID 104641276

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCCC2(C)C)nc1
InChIInChI=1S/C13H19N3O/c1-13(2)7-4-8-16(13)12(17)11-6-5-10(14-3)9-15-11/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeySXGVUJJCAFESEK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds2

About (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone (PubChem CID 104641276) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
PubChem CID104641276
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
SMILESCNc1ccc(C(=O)N2CCCC2(C)C)nc1
InChIInChI=1S/C13H19N3O/c1-13(2)7-4-8-16(13)12(17)11-6-5-10(14-3)9-15-11/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeySXGVUJJCAFESEK-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641203
(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375601
(2,2-dimethylpyrrolidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 114035914
(2,2-dimethylpyrrolidin-1-yl)-[2-methyl-4-(methylamino)phenyl]methanone
CID 113400210
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
[5-(methylamino)-2-pyridinyl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745621
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 107165125
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
(3,3-dimethylpiperidin-1-yl)-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642815
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641595
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone (CID 104641276) is (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone is CNc1ccc(C(=O)N2CCCC2(C)C)nc1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone?
The InChIKey is SXGVUJJCAFESEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)7-4-8-16(13)12(17)11-6-5-10(14-3)9-15-11/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone has a molecular weight of 233.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104641276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).