methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate

C13H19N3O3 — CID 104741240

IUPACmethyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ncccc1N
InChIInChI=1S/C13H19N3O3/c1-8(2)7-10(13(18)19-3)16-12(17)11-9(14)5-4-6-15-11/h4-6,8,10H,7,14H2,1-3H3,(H,16,17)
InChIKeyKEELFJHLNOTJCX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.98
Rot. Bonds5

About methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate

methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate (PubChem CID 104741240) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
PubChem CID104741240
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ncccc1N
InChIInChI=1S/C13H19N3O3/c1-8(2)7-10(13(18)19-3)16-12(17)11-9(14)5-4-6-15-11/h4-6,8,10H,7,14H2,1-3H3,(H,16,17)
InChIKeyKEELFJHLNOTJCX-UHFFFAOYSA-N
XLogP0.98
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
(3S)-3-[[(3-aminopyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 104742465
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
3-amino-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 104742079
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104741915
methyl 4-methyl-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]pentanoate
CID 107148609

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate (CID 104741240) is methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1ncccc1N.
What is the InChIKey of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate?
The InChIKey is KEELFJHLNOTJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)7-10(13(18)19-3)16-12(17)11-9(14)5-4-6-15-11/h4-6,8,10H,7,14H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate has a molecular weight of 265.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 104741240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).