methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate

C14H17N3O3 — CID 43424083

IUPACmethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1ccc(C#N)c(C)n1)C(C)C
InChIInChI=1S/C14H17N3O3/c1-8(2)12(14(19)20-4)17-13(18)11-6-5-10(7-15)9(3)16-11/h5-6,8,12H,1-4H3,(H,17,18)
InChIKeyWVTIZZDNUJQHIA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate

methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate (PubChem CID 43424083) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
PubChem CID43424083
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1ccc(C#N)c(C)n1)C(C)C
InChIInChI=1S/C14H17N3O3/c1-8(2)12(14(19)20-4)17-13(18)11-6-5-10(7-15)9(3)16-11/h5-6,8,12H,1-4H3,(H,17,18)
InChIKeyWVTIZZDNUJQHIA-UHFFFAOYSA-N
XLogP1.19
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
methyl (2S)-2-[(2-cyanobenzoyl)amino]-3-methylbutanoate
CID 134821296
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63182583
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
methyl 2-[(5-fluoropyridine-2-carbonyl)amino]-3-methylbutanoate
CID 113415269
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
methyl 3-methyl-2-[(5-methylpyrazine-2-carbonyl)amino]butanoate
CID 43407775
potassium (5-cyano-6-methylpyridine-2-carbonyl)azanide
CID 171818248

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate (CID 43424083) is methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1ccc(C#N)c(C)n1)C(C)C.
What is the InChIKey of methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate?
The InChIKey is WVTIZZDNUJQHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)12(14(19)20-4)17-13(18)11-6-5-10(7-15)9(3)16-11/h5-6,8,12H,1-4H3,(H,17,18).
What are the key properties of methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate has a molecular weight of 275.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 43424083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).