2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid

C14H17N3O3 — CID 60829216

IUPAC2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C14H17N3O3/c1-4-9(2)17(8-13(18)19)14(20)12-6-5-11(7-15)10(3)16-12/h5-6,9H,4,8H2,1-3H3,(H,18,19)
InChIKeyHTYXAFGMUFNHLY-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.59
Rot. Bonds5

About 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid

2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid (PubChem CID 60829216) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid
PubChem CID60829216
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(C#N)c(C)n1
InChIInChI=1S/C14H17N3O3/c1-4-9(2)17(8-13(18)19)14(20)12-6-5-11(7-15)10(3)16-12/h5-6,9H,4,8H2,1-3H3,(H,18,19)
InChIKeyHTYXAFGMUFNHLY-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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Related Compounds

3-[(5-cyano-6-methylpyridine-2-carbonyl)-ethylamino]butanoic acid
CID 62822089
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate
CID 61007860
2-[[(2R)-butan-2-yl]-(1,2-oxazole-3-carbonyl)amino]acetic acid
CID 94000771
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
potassium (5-cyano-6-methylpyridine-2-carbonyl)azanide
CID 171818248
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid (CID 60829216) is 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccc(C#N)c(C)n1.
What is the InChIKey of 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid?
The InChIKey is HTYXAFGMUFNHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-9(2)17(8-13(18)19)14(20)12-6-5-11(7-15)10(3)16-12/h5-6,9H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid?
2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic 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 2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 60829216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).