(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

C14H22N4O — CID 55127274

IUPAC(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ncc(N)cc1C(=O)N1CCCC1CN(C)C
InChIInChI=1S/C14H22N4O/c1-10-13(7-11(15)8-16-10)14(19)18-6-4-5-12(18)9-17(2)3/h7-8,12H,4-6,9,15H2,1-3H3
InChIKeySQZKMHIZELXBTF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.14
Rot. Bonds3

About (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 55127274) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID55127274
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ncc(N)cc1C(=O)N1CCCC1CN(C)C
InChIInChI=1S/C14H22N4O/c1-10-13(7-11(15)8-16-10)14(19)18-6-4-5-12(18)9-17(2)3/h7-8,12H,4-6,9,15H2,1-3H3
InChIKeySQZKMHIZELXBTF-UHFFFAOYSA-N
XLogP1.14
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
(5-amino-2-methyl-3-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83053618
(4-amino-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62886056
methyl 2-[1-(5-amino-2-methylpyridine-3-carbonyl)piperidin-2-yl]acetate
CID 61138572
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
1-(5-amino-2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 54916812
1-(5-amino-2-methylpyridine-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 54979008
(3-amino-4-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 105069899
(5-amino-2-methyl-3-pyridinyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 54917256
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
(3-amino-5-bromo-2-methylphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107872705
1-(5-amino-2-methylpyridine-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 61105363

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 55127274) is (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is Cc1ncc(N)cc1C(=O)N1CCCC1CN(C)C.
What is the InChIKey of (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is SQZKMHIZELXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-13(7-11(15)8-16-10)14(19)18-6-4-5-12(18)9-17(2)3/h7-8,12H,4-6,9,15H2,1-3H3.
What are the key properties of (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
(5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55127274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).