(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide

C13H21N3O2 — CID 61172675

IUPAC(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C13H21N3O2/c1-4-9(3)12(14)13(18)15-10-6-7-11(17)16(5-2)8-10/h6-9,12H,4-5,14H2,1-3H3,(H,15,18)/t9?,12-/m0/s1
InChIKeyOZWGZWISIGCTRX-ACGXKRRESA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds5

About (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide

(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide (PubChem CID 61172675) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
PubChem CID61172675
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(=O)n(CC)c1
InChIInChI=1S/C13H21N3O2/c1-4-9(3)12(14)13(18)15-10-6-7-11(17)16(5-2)8-10/h6-9,12H,4-5,14H2,1-3H3,(H,15,18)/t9?,12-/m0/s1
InChIKeyOZWGZWISIGCTRX-ACGXKRRESA-N
XLogP1.18
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
CID 103929013
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)hexanamide
CID 54862552
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 43713286
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide (CID 61172675) is (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(=O)n(CC)c1.
What is the InChIKey of (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide?
The InChIKey is OZWGZWISIGCTRX-ACGXKRRESA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-9(3)12(14)13(18)15-10-6-7-11(17)16(5-2)8-10/h6-9,12H,4-5,14H2,1-3H3,(H,15,18)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide?
(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide is sourced from PubChem (CID 61172675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).