methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate

C14H20N2O3 — CID 62338800

IUPACmethyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ncccc1C
InChIInChI=1S/C14H20N2O3/c1-9(2)8-11(14(18)19-4)16-13(17)12-10(3)6-5-7-15-12/h5-7,9,11H,8H2,1-4H3,(H,16,17)
InChIKeySBHXOPBGSXPYJQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.71
Rot. Bonds5

About methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate

methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate (PubChem CID 62338800) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
PubChem CID62338800
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ncccc1C
InChIInChI=1S/C14H20N2O3/c1-9(2)8-11(14(18)19-4)16-13(17)12-10(3)6-5-7-15-12/h5-7,9,11H,8H2,1-4H3,(H,16,17)
InChIKeySBHXOPBGSXPYJQ-UHFFFAOYSA-N
XLogP1.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
CID 107148609
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
CID 114311647
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
(2S)-4-methyl-2-[[2-[(3-methylpyridine-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695622
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 82786990
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate (CID 62338800) is methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1ncccc1C.
What is the InChIKey of methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate?
The InChIKey is SBHXOPBGSXPYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)8-11(14(18)19-4)16-13(17)12-10(3)6-5-7-15-12/h5-7,9,11H,8H2,1-4H3,(H,16,17).
What are the key properties of methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate?
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate has a molecular weight of 264.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate is sourced from PubChem (CID 62338800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).