3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid

C11H11N3O4 — CID 66166861

IUPAC3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCc1nc(C(=O)NCC(O)C(=O)O)ccc1C#N
InChIInChI=1S/C11H11N3O4/c1-6-7(4-12)2-3-8(14-6)10(16)13-5-9(15)11(17)18/h2-3,9,15H,5H2,1H3,(H,13,16)(H,17,18)
InChIKeyRLNMNLPCFNKVCT-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.56
Rot. Bonds4

About 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid

3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66166861) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66166861
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCc1nc(C(=O)NCC(O)C(=O)O)ccc1C#N
InChIInChI=1S/C11H11N3O4/c1-6-7(4-12)2-3-8(14-6)10(16)13-5-9(15)11(17)18/h2-3,9,15H,5H2,1H3,(H,13,16)(H,17,18)
InChIKeyRLNMNLPCFNKVCT-UHFFFAOYSA-N
XLogP-0.56
TPSA123.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]pentanoic acid
CID 65218862
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 56784686
1-[[(5-cyano-6-methylpyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449689
6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
CID 43352877
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040
5-cyano-N-[(2S)-4-(dimethylamino)-2-ethoxybutyl]-6-methylpyridine-2-carboxamide
CID 96535435
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid (CID 66166861) is 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid is Cc1nc(C(=O)NCC(O)C(=O)O)ccc1C#N.
What is the InChIKey of 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is RLNMNLPCFNKVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-7(4-12)2-3-8(14-6)10(16)13-5-9(15)11(17)18/h2-3,9,15H,5H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 249.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66166861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).