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

C12H12N4O4 — CID 43465318

IUPAC2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)NCC(=O)O)ccc1C#N
InChIInChI=1S/C12H12N4O4/c1-7-8(4-13)2-3-9(16-7)12(20)15-5-10(17)14-6-11(18)19/h2-3H,5-6H2,1H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyUTWULMRFUWSKMH-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.81
Rot. Bonds5

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

2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 43465318) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID43465318
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
SMILESCc1nc(C(=O)NCC(=O)NCC(=O)O)ccc1C#N
InChIInChI=1S/C12H12N4O4/c1-7-8(4-13)2-3-9(16-7)12(20)15-5-10(17)14-6-11(18)19/h2-3H,5-6H2,1H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyUTWULMRFUWSKMH-UHFFFAOYSA-N
XLogP-0.81
TPSA132.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid with MolForge

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Related Compounds

6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
CID 43352877
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
2-[butan-2-yl-(5-cyano-6-methylpyridine-2-carbonyl)amino]acetic acid
CID 60829216
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63182583
5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 103946065
potassium (5-cyano-6-methylpyridine-2-carbonyl)azanide
CID 171818248

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid (CID 43465318) is 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid is Cc1nc(C(=O)NCC(=O)NCC(=O)O)ccc1C#N.
What is the InChIKey of 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is UTWULMRFUWSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-7-8(4-13)2-3-9(16-7)12(20)15-5-10(17)14-6-11(18)19/h2-3H,5-6H2,1H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 276.25 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).