(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide

C13H21N3O — CID 10704927

IUPAC(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide
SMILESCc1cc(C)nc(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C13H21N3O/c1-8(2)5-11(14)13(17)16-12-7-9(3)6-10(4)15-12/h6-8,11H,5,14H2,1-4H3,(H,15,16,17)/t11-/m0/s1
InChIKeyMOYGNSMUVIBRCW-NSHDSACASA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds4

About (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide

(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide (PubChem CID 10704927) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide
PubChem CID10704927
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide
SMILESCc1cc(C)nc(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C13H21N3O/c1-8(2)5-11(14)13(17)16-12-7-9(3)6-10(4)15-12/h6-8,11H,5,14H2,1-4H3,(H,15,16,17)/t11-/m0/s1
InChIKeyMOYGNSMUVIBRCW-NSHDSACASA-N
XLogP2.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109
2-Acetamido-6-methylpyridine
CID 220486
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-6-methyl-2,8-dioxo-3-propyl-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042267
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266873
2-(2,4-dioxo-1,3-diazaspiro[4.4]non-3-yl)-N-(6-methylpyridin-2-yl)acetamide
CID 24981032
1-Benzyl-3-(6-methylpyridin-2-yl)urea
CID 16764115
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 15454127
2-(3-Amino-6-methyl-2-oxo-2H-pyrazin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 44289619
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
(2S)-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide
CID 11506689
N~2~-[(4-methylcyclohexyl)carbonyl]-N-(6-methylpyridin-2-yl)leucinamide
CID 6621139
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-ethyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide (CID 10704927) is (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide is Cc1cc(C)nc(NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide?
The InChIKey is MOYGNSMUVIBRCW-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)5-11(14)13(17)16-12-7-9(3)6-10(4)15-12/h6-8,11H,5,14H2,1-4H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide?
(2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 10704927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).