3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid

C10H9N3O4 — CID 66166460

IUPAC3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESN#Cc1ccc(C(=O)NCC(O)C(=O)O)nc1
InChIInChI=1S/C10H9N3O4/c11-3-6-1-2-7(12-4-6)9(15)13-5-8(14)10(16)17/h1-2,4,8,14H,5H2,(H,13,15)(H,16,17)
InChIKeyTYYAYDNISKJFEN-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.87
Rot. Bonds4

About 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid

3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66166460) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66166460
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
SMILESN#Cc1ccc(C(=O)NCC(O)C(=O)O)nc1
InChIInChI=1S/C10H9N3O4/c11-3-6-1-2-7(12-4-6)9(15)13-5-8(14)10(16)17/h1-2,4,8,14H,5H2,(H,13,15)(H,16,17)
InChIKeyTYYAYDNISKJFEN-UHFFFAOYSA-N
XLogP-0.87
TPSA123.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-[(5-cyanopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 82016813
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
2-[(5-cyanopyridine-2-carbonyl)amino]butanoic acid
CID 55228672
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 111480323
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-[2-(dimethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 63719308

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid (CID 66166460) is 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid is N#Cc1ccc(C(=O)NCC(O)C(=O)O)nc1.
What is the InChIKey of 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is TYYAYDNISKJFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c11-3-6-1-2-7(12-4-6)9(15)13-5-8(14)10(16)17/h1-2,4,8,14H,5H2,(H,13,15)(H,16,17).
What are the key properties of 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 235.20 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66166460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).