(2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide

C13H21N3O2 — CID 91828411

IUPAC(2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide
SMILESCN[C@@H](C)C(=O)NCCCn1c(C)cccc1=O
InChIInChI=1S/C13H21N3O2/c1-10-6-4-7-12(17)16(10)9-5-8-15-13(18)11(2)14-3/h4,6-7,11,14H,5,8-9H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeySUWBJJOYQFTRDH-NSHDSACASA-N
MW251.33 g/mol
LogP0.27
Rot. Bonds6

About (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide

(2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide (PubChem CID 91828411) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide
PubChem CID91828411
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide
SMILESCN[C@@H](C)C(=O)NCCCn1c(C)cccc1=O
InChIInChI=1S/C13H21N3O2/c1-10-6-4-7-12(17)16(10)9-5-8-15-13(18)11(2)14-3/h4,6-7,11,14H,5,8-9H2,1-3H3,(H,15,18)/t11-/m0/s1
InChIKeySUWBJJOYQFTRDH-NSHDSACASA-N
XLogP0.27
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide
CID 71860154
N-(2-hydroxypyridin-3-yl)prop-2-enamide
CID 156600118
6-hydroxy-N-(propan-2-yl)pyridine-2-carboxamide
CID 15334838
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
2-(3-acetamido-2-oxo-1-pyridinyl)-N-cyclohexylacetamide
CID 45268244
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one
CID 45269129
N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyridinyl]acetamide
CID 45269134
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
N-(2-Hydroxypyridin-3-yl)acetamide
CID 322049
1-Hydroxy-6-oxo-N-propyl-1,6-dihydropyridine-2-carboxamide
CID 85827415
N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 17409434

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide (CID 91828411) is (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide is CN[C@@H](C)C(=O)NCCCn1c(C)cccc1=O.
What is the InChIKey of (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide?
The InChIKey is SUWBJJOYQFTRDH-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-6-4-7-12(17)16(10)9-5-8-15-13(18)11(2)14-3/h4,6-7,11,14H,5,8-9H2,1-3H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide?
(2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]propanamide is sourced from PubChem (CID 91828411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).