3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C16H23N3O2 — CID 72857421

IUPAC3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O2/c1-9(2)14-6-5-11(15(20)18-14)16(21)19-7-12(10-3-4-10)13(17)8-19/h5-6,9-10,12-13H,3-4,7-8,17H2,1-2H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyJSUSFNBWKDYPDK-OLZOCXBDSA-N
MW289.38 g/mol
LogP1.31
Rot. Bonds3

About 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 72857421) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID72857421
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O2/c1-9(2)14-6-5-11(15(20)18-14)16(21)19-7-12(10-3-4-10)13(17)8-19/h5-6,9-10,12-13H,3-4,7-8,17H2,1-2H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyJSUSFNBWKDYPDK-OLZOCXBDSA-N
XLogP1.31
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Related Compounds

1-(cyclohexylmethyl)-5-N-cyclopropyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 156014278
N-[(3R,4S)-1-(cyclobutylmethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 72847325
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 72872778
1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72887547
N-[(3R,4S)-1-cyclohexyl-4-cyclopropylpyrrolidin-3-yl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 72937042
N-[(3R,4S)-1-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 72837354
N-((3R*,4S*)-1-{[2-hydroxy-6-(trifluoromethyl)-3-pyridinyl]carbonyl}-4-isopropyl-3-pyrrolidinyl)acetamide
CID 133126458
N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 167510805
N-[(1-isobutylpyrrolidin-3-yl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56711017
3-(2,7-diazaspiro[4.5]dec-7-ylcarbonyl)-1-ethyl-4,6-dimethylpyridin-2(1H)-one
CID 56757966
5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 130365315
5-cyclopropyl-N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 130365316

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 72857421) is 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c(=O)[nH]1.
What is the InChIKey of 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is JSUSFNBWKDYPDK-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-9(2)14-6-5-11(15(20)18-14)16(21)19-7-12(10-3-4-10)13(17)8-19/h5-6,9-10,12-13H,3-4,7-8,17H2,1-2H3,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 72857421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).