(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone

C11H16N4O — CID 171527020

IUPAC(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone
SMILESCN(C)C1CN(C(=O)c2cccnc2N)C1
InChIInChI=1S/C11H16N4O/c1-14(2)8-6-15(7-8)11(16)9-4-3-5-13-10(9)12/h3-5,8H,6-7H2,1-2H3,(H2,12,13)
InChIKeyYNFHAOVLYXQNIU-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.05
Rot. Bonds2

About (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone

(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone (PubChem CID 171527020) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone
PubChem CID171527020
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone
SMILESCN(C)C1CN(C(=O)c2cccnc2N)C1
InChIInChI=1S/C11H16N4O/c1-14(2)8-6-15(7-8)11(16)9-4-3-5-13-10(9)12/h3-5,8H,6-7H2,1-2H3,(H2,12,13)
InChIKeyYNFHAOVLYXQNIU-UHFFFAOYSA-N
XLogP0.05
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
(2-amino-3-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681656
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
(2-amino-3-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62160129
4-(2-aminopyridine-3-carbonyl)piperazine-2,6-dione
CID 66061658
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
(2-amino-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63162097
(2-bromo-3-fluorophenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646777
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-3-iodophenyl)methanone
CID 172646755
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 72851131
(2-chloro-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026054
(2-amino-3-pyridinyl)-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]methanone
CID 24993155

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone (CID 171527020) is (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone is CN(C)C1CN(C(=O)c2cccnc2N)C1.
What is the InChIKey of (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone?
The InChIKey is YNFHAOVLYXQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14(2)8-6-15(7-8)11(16)9-4-3-5-13-10(9)12/h3-5,8H,6-7H2,1-2H3,(H2,12,13).
What are the key properties of (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone?
(2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone has a molecular weight of 220.28 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-(dimethylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 171527020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).