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

C10H13N3O — CID 63753826

IUPAC(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC(N)C2)cn1
InChIInChI=1S/C10H13N3O/c1-7-2-3-8(4-12-7)10(14)13-5-9(11)6-13/h2-4,9H,5-6,11H2,1H3
InChIKeyJVGMSVYJJPNYSP-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.17
Rot. Bonds1

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

(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 63753826) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID63753826
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CC(N)C2)cn1
InChIInChI=1S/C10H13N3O/c1-7-2-3-8(4-12-7)10(14)13-5-9(11)6-13/h2-4,9H,5-6,11H2,1H3
InChIKeyJVGMSVYJJPNYSP-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

(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63721715
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120742851
(2R)-4-(6-methylpyridine-3-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125008665
(6-methyl-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154781940
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone (CID 63753826) is (3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CC(N)C2)cn1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is JVGMSVYJJPNYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-2-3-8(4-12-7)10(14)13-5-9(11)6-13/h2-4,9H,5-6,11H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone?
(3-aminoazetidin-1-yl)-(6-methyl-3-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-3-pyridinyl)methanone is sourced from PubChem (CID 63753826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).