(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone

C10H13N3O — CID 116583846

IUPAC(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
SMILESCc1cnc(N)c(C(=O)C2CNC2)c1
InChIInChI=1S/C10H13N3O/c1-6-2-8(10(11)13-3-6)9(14)7-4-12-5-7/h2-3,7,12H,4-5H2,1H3,(H2,11,13)
InChIKeyUFNQZTGXKXIRNR-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.37
Rot. Bonds2

About (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone

(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone (PubChem CID 116583846) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
PubChem CID116583846
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone
SMILESCc1cnc(N)c(C(=O)C2CNC2)c1
InChIInChI=1S/C10H13N3O/c1-6-2-8(10(11)13-3-6)9(14)7-4-12-5-7/h2-3,7,12H,4-5H2,1H3,(H2,11,13)
InChIKeyUFNQZTGXKXIRNR-UHFFFAOYSA-N
XLogP0.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-methyl-3-pyridinyl)-2-piperidin-4-ylethanone
CID 116560007
(2-amino-5-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925462
1-[4-(2-amino-5-methylpyridine-3-carbonyl)piperidin-1-yl]-2-methylprop-2-en-1-one
CID 95857772
1-(2-amino-5-methyl-3-pyridinyl)-2-morpholin-2-ylethanone
CID 116586378
(2-amino-5-methyl-3-pyridinyl)-morpholin-3-ylmethanone
CID 116576396
(2-amino-5-methyl-3-pyridinyl)-(1,4-dimethylpiperazin-2-yl)methanone
CID 79658548
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
2-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-cyclopropylethanone
CID 130913857
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone (CID 116583846) is (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone is Cc1cnc(N)c(C(=O)C2CNC2)c1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone?
The InChIKey is UFNQZTGXKXIRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-2-8(10(11)13-3-6)9(14)7-4-12-5-7/h2-3,7,12H,4-5H2,1H3,(H2,11,13).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone?
(2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone has a molecular weight of 191.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-pyridinyl)-(azetidin-3-yl)methanone is sourced from PubChem (CID 116583846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).