1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one

C16H25N3O — CID 103182948

IUPAC1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one
SMILESCc1cnc(CN2CC(C(C)(C)C)CC2=O)c(C)c1N
InChIInChI=1S/C16H25N3O/c1-10-7-18-13(11(2)15(10)17)9-19-8-12(6-14(19)20)16(3,4)5/h7,12H,6,8-9H2,1-5H3,(H2,17,18)
InChIKeyXJABPRRWALPWMH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.68
Rot. Bonds2

About 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one

1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one (PubChem CID 103182948) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one
PubChem CID103182948
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one
SMILESCc1cnc(CN2CC(C(C)(C)C)CC2=O)c(C)c1N
InChIInChI=1S/C16H25N3O/c1-10-7-18-13(11(2)15(10)17)9-19-8-12(6-14(19)20)16(3,4)5/h7,12H,6,8-9H2,1-5H3,(H2,17,18)
InChIKeyXJABPRRWALPWMH-UHFFFAOYSA-N
XLogP2.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-methylpiperazine-2,5-dione
CID 103182909
3,5-dimethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-4-amine
CID 103182448
4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 104512793
1-[(3-aminophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510947
(1S,6R)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 72892165
(1S,6R)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one;dihydrochloride
CID 154925030
1-[(2-amino-5-chlorophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510939
1-[(5-amino-2-chlorophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510943
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
2-[(3-ethylpyrrolidin-1-yl)methyl]-3,5-dimethylpyridin-4-amine
CID 103182574
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510941
4-[(4-tert-butyl-2-oxopyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 104511923

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one?
The IUPAC name of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one (CID 103182948) is 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one?
The canonical SMILES for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one is Cc1cnc(CN2CC(C(C)(C)C)CC2=O)c(C)c1N.
What is the InChIKey of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one?
The InChIKey is XJABPRRWALPWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10-7-18-13(11(2)15(10)17)9-19-8-12(6-14(19)20)16(3,4)5/h7,12H,6,8-9H2,1-5H3,(H2,17,18).
What are the key properties of 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one?
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-4-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 103182948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).