(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

C13H20N4O — CID 81316793

IUPAC(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)c1ccc(N)cn1
InChIInChI=1S/C13H20N4O/c1-16(2)9-11-4-3-7-17(11)13(18)12-6-5-10(14)8-15-12/h5-6,8,11H,3-4,7,9,14H2,1-2H3
InChIKeyDOSIHHVMVSGZPB-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds3

About (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 81316793) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID81316793
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)c1ccc(N)cn1
InChIInChI=1S/C13H20N4O/c1-16(2)9-11-4-3-7-17(11)13(18)12-6-5-10(14)8-15-12/h5-6,8,11H,3-4,7,9,14H2,1-2H3
InChIKeyDOSIHHVMVSGZPB-UHFFFAOYSA-N
XLogP0.83
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 63723390
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795
(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 55127274
(4-amino-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886056
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
(3-amino-4-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 105069899
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375498
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)-2-pyridinyl]methanone
CID 62889943
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 81316793) is (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is CN(C)CC1CCCN1C(=O)c1ccc(N)cn1.
What is the InChIKey of (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DOSIHHVMVSGZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(2)9-11-4-3-7-17(11)13(18)12-6-5-10(14)8-15-12/h5-6,8,11H,3-4,7,9,14H2,1-2H3.
What are the key properties of (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 81316793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).