3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one

C11H16N2O — CID 55276315

IUPAC3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c([C@H](N)C2CC2)c(C)[nH]1
InChIInChI=1S/C11H16N2O/c1-6-5-9(14)10(7(2)13-6)11(12)8-3-4-8/h5,8,11H,3-4,12H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyMFJDWTRWUGDGOK-LLVKDONJSA-N
MW192.26 g/mol
LogP1.40
Rot. Bonds2

About 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one

3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 55276315) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID55276315
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c([C@H](N)C2CC2)c(C)[nH]1
InChIInChI=1S/C11H16N2O/c1-6-5-9(14)10(7(2)13-6)11(12)8-3-4-8/h5,8,11H,3-4,12H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyMFJDWTRWUGDGOK-LLVKDONJSA-N
XLogP1.40
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one
CID 130611322
3-[(2S)-azetidin-2-yl]-2,6-dimethyl-1H-pyridin-4-one
CID 55277200
2-[(S)-amino(cyclopropyl)methyl]-5-methylbenzene-1,3-diol
CID 130727329
(5-chloro-2-methyl-1H-indol-3-yl)-cyclopentylmethanamine
CID 82279351
cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82279330
cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 82279350
3-fluoro-2,6-dimethyl-1H-pyridin-4-one
CID 24971814
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine
CID 82279356
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one (CID 55276315) is 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c([C@H](N)C2CC2)c(C)[nH]1.
What is the InChIKey of 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is MFJDWTRWUGDGOK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N2O/c1-6-5-9(14)10(7(2)13-6)11(12)8-3-4-8/h5,8,11H,3-4,12H2,1-2H3,(H,13,14)/t11-/m1/s1.
What are the key properties of 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one?
3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 55276315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).