(4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one

C10H13N3O — CID 124634622

IUPAC(4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cc(N)cnc1[C@@H]1CNC(=O)C1
InChIInChI=1S/C10H13N3O/c1-6-2-8(11)5-13-10(6)7-3-9(14)12-4-7/h2,5,7H,3-4,11H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeyREDNEAHALGDLGR-ZETCQYMHSA-N
MW191.23 g/mol
LogP0.58
Rot. Bonds1

About (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one

(4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one (PubChem CID 124634622) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one
PubChem CID124634622
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cc(N)cnc1[C@@H]1CNC(=O)C1
InChIInChI=1S/C10H13N3O/c1-6-2-8(11)5-13-10(6)7-3-9(14)12-4-7/h2,5,7H,3-4,11H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeyREDNEAHALGDLGR-ZETCQYMHSA-N
XLogP0.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(6-amino-5-methyl-3-pyridinyl)pyrrolidin-2-one
CID 124634670
(4S)-4-(5-amino-2-pyridinyl)pyrrolidin-2-one
CID 124634642
4-(3-amino-5-methylphenyl)pyrrolidin-2-one
CID 167592266
4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
CID 130580485
(4S)-4-(3-aminophenyl)pyrrolidin-2-one
CID 86315682
ethyl 5-amino-2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106197591
4-(4-amino-2-methylanilino)pyrrolidin-2-one
CID 106183059
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
5-(6-amino-3-pyridinyl)piperidin-2-one
CID 118045436
4-pyridin-2-ylpyrrolidin-2-one
CID 47002994
(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
CID 124634560

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one (CID 124634622) is (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one is Cc1cc(N)cnc1[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is REDNEAHALGDLGR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-2-8(11)5-13-10(6)7-3-9(14)12-4-7/h2,5,7H,3-4,11H2,1H3,(H,12,14)/t7-/m0/s1.
What are the key properties of (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one?
(4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 124634622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).