4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide

C10H11N3O3 — CID 171898842

IUPAC4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
SMILESN#Cc1ccc(C(O)C(O)CC(N)=O)nc1
InChIInChI=1S/C10H11N3O3/c11-4-6-1-2-7(13-5-6)10(16)8(14)3-9(12)15/h1-2,5,8,10,14,16H,3H2,(H2,12,15)
InChIKeyVIXGLFFMSKHWPQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.78
Rot. Bonds4

About 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide

4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide (PubChem CID 171898842) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
PubChem CID171898842
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
SMILESN#Cc1ccc(C(O)C(O)CC(N)=O)nc1
InChIInChI=1S/C10H11N3O3/c11-4-6-1-2-7(13-5-6)10(16)8(14)3-9(12)15/h1-2,5,8,10,14,16H,3H2,(H2,12,15)
InChIKeyVIXGLFFMSKHWPQ-UHFFFAOYSA-N
XLogP-0.78
TPSA120.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900634
6-(3-bromo-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171859650
3,4-dihydroxy-4-(5-nitro-2-pyridinyl)butanamide
CID 171899165
4-(5-cyano-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171899303
6-(2-amino-1-hydroxyethyl)pyridine-3-carbonitrile;6-(2-bromoacetyl)pyridine-3-carbonitrile
CID 158463192
6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
CID 55294065
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703
4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877149
3,4-dihydroxy-4-(5-methyl-2-pyridinyl)butanenitrile
CID 171900457
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
6-(2-bromoacetyl)pyridine-3-carbonitrile
CID 58497180

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide (CID 171898842) is 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide is N#Cc1ccc(C(O)C(O)CC(N)=O)nc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide?
The InChIKey is VIXGLFFMSKHWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-4-6-1-2-7(13-5-6)10(16)8(14)3-9(12)15/h1-2,5,8,10,14,16H,3H2,(H2,12,15).
What are the key properties of 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide?
4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide has a molecular weight of 221.22 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).