3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid

C14H17N3O3 — CID 62822089

IUPAC3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid
SMILESCCN(C(=O)c1ccc(C#N)c(C)n1)C(C)CC(=O)O
InChIInChI=1S/C14H17N3O3/c1-4-17(9(2)7-13(18)19)14(20)12-6-5-11(8-15)10(3)16-12/h5-6,9H,4,7H2,1-3H3,(H,18,19)
InChIKeyUZHXFBPQFZDWMS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.59
Rot. Bonds5

About 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid

3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid (PubChem CID 62822089) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid.

Molecular Properties

Compound Name3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid
PubChem CID62822089
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid
SMILESCCN(C(=O)c1ccc(C#N)c(C)n1)C(C)CC(=O)O
InChIInChI=1S/C14H17N3O3/c1-4-17(9(2)7-13(18)19)14(20)12-6-5-11(8-15)10(3)16-12/h5-6,9H,4,7H2,1-3H3,(H,18,19)
InChIKeyUZHXFBPQFZDWMS-UHFFFAOYSA-N
XLogP1.59
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid?
The IUPAC name of 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid (CID 62822089) is 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid.
What is the SMILES notation for 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid?
The canonical SMILES for 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid is CCN(C(=O)c1ccc(C#N)c(C)n1)C(C)CC(=O)O.
What is the InChIKey of 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid?
The InChIKey is UZHXFBPQFZDWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-17(9(2)7-13(18)19)14(20)12-6-5-11(8-15)10(3)16-12/h5-6,9H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid?
3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid is sourced from PubChem (CID 62822089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).