3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one

C16H26N2O — CID 82525035

IUPAC3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one
SMILESCc1ccc(CNC2CCCC2)c(=O)n1CC(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)11-18-13(3)8-9-14(16(18)19)10-17-15-6-4-5-7-15/h8-9,12,15,17H,4-7,10-11H2,1-3H3
InChIKeyPLRGDTAUXJEWQN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds5

About 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one

3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82525035) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one
PubChem CID82525035
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one
SMILESCc1ccc(CNC2CCCC2)c(=O)n1CC(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)11-18-13(3)8-9-14(16(18)19)10-17-15-6-4-5-7-15/h8-9,12,15,17H,4-7,10-11H2,1-3H3
InChIKeyPLRGDTAUXJEWQN-UHFFFAOYSA-N
XLogP2.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82523674
3-[(cyclopropylamino)methyl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524810
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443346
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82525225
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
CID 18801770
N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine
CID 100792166
1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine
CID 4848760
3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one
CID 82524895
N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666
N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
CID 97179137
3-[(cyclopentylamino)methyl]-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523218

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one (CID 82525035) is 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one is Cc1ccc(CNC2CCCC2)c(=O)n1CC(C)C.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is PLRGDTAUXJEWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)11-18-13(3)8-9-14(16(18)19)10-17-15-6-4-5-7-15/h8-9,12,15,17H,4-7,10-11H2,1-3H3.
What are the key properties of 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one?
3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 262.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82525035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).