(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone

C10H13N3O — CID 63754551

IUPAC(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC(N)C2)n1
InChIInChI=1S/C10H13N3O/c1-7-3-2-4-9(12-7)10(14)13-5-8(11)6-13/h2-4,8H,5-6,11H2,1H3
InChIKeyPQXLMSDAQVTSTH-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.17
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone

(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 63754551) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
PubChem CID63754551
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CC(N)C2)n1
InChIInChI=1S/C10H13N3O/c1-7-3-2-4-9(12-7)10(14)13-5-8(11)6-13/h2-4,8H,5-6,11H2,1H3
InChIKeyPQXLMSDAQVTSTH-UHFFFAOYSA-N
XLogP0.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
(6-methyl-2-pyridinyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 127380279
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 120746588
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
(4-amino-3-ethylpiperidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 81458540
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 130925967
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone (CID 63754551) is (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CC(N)C2)n1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is PQXLMSDAQVTSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-3-2-4-9(12-7)10(14)13-5-8(11)6-13/h2-4,8H,5-6,11H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone?
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 191.23 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 63754551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).