(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid

C14H15N3O3 — CID 120694040

IUPAC(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1ccc(C#N)c(C)n1)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-3-4-5-12(14(19)20)17-13(18)11-7-6-10(8-15)9(2)16-11/h3-4,6-7,12H,5H2,1-2H3,(H,17,18)(H,19,20)/b4-3+
InChIKeyPVDXRFLSXJVNHM-ONEGZZNKSA-N
MW273.29 g/mol
LogP1.41
Rot. Bonds5

About (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid

(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid (PubChem CID 120694040) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
PubChem CID120694040
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)c1ccc(C#N)c(C)n1)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-3-4-5-12(14(19)20)17-13(18)11-7-6-10(8-15)9(2)16-11/h3-4,6-7,12H,5H2,1-2H3,(H,17,18)(H,19,20)/b4-3+
InChIKeyPVDXRFLSXJVNHM-ONEGZZNKSA-N
XLogP1.41
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid with MolForge

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Related Compounds

5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63182583
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
CID 61247495
(E)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hex-4-enoic acid
CID 120692636
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120693484
(E)-2-[(3,4-dimethylbenzoyl)amino]hex-4-enoic acid
CID 120694168
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
CID 43424083
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid (CID 120694040) is (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid is C/C=C/CC(NC(=O)c1ccc(C#N)c(C)n1)C(=O)O.
What is the InChIKey of (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid?
The InChIKey is PVDXRFLSXJVNHM-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-4-5-12(14(19)20)17-13(18)11-7-6-10(8-15)9(2)16-11/h3-4,6-7,12H,5H2,1-2H3,(H,17,18)(H,19,20)/b4-3+.
What are the key properties of (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid?
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid is sourced from PubChem (CID 120694040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).