[1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid

C10H11N3O4 — CID 175327842

IUPAC[1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid
SMILESN#Cc1cncc(C(CCO)N(O)C(=O)O)c1
InChIInChI=1S/C10H11N3O4/c11-4-7-3-8(6-12-5-7)9(1-2-14)13(17)10(15)16/h3,5-6,9,14,17H,1-2H2,(H,15,16)
InChIKeyPKYCUPCCKIQIMD-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.75
Rot. Bonds4

About [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid

[1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid (PubChem CID 175327842) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid.

Molecular Properties

Compound Name[1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid
PubChem CID175327842
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name[1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid
SMILESN#Cc1cncc(C(CCO)N(O)C(=O)O)c1
InChIInChI=1S/C10H11N3O4/c11-4-7-3-8(6-12-5-7)9(1-2-14)13(17)10(15)16/h3,5-6,9,14,17H,1-2H2,(H,15,16)
InChIKeyPKYCUPCCKIQIMD-UHFFFAOYSA-N
XLogP0.75
TPSA117.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-cyanophenyl)-3-hydroxypropyl]-hydroxycarbamic acid
CID 175383452
[1-(3,5-difluorophenyl)-3-hydroxypropyl]-hydroxycarbamic acid
CID 155250759
5-(1-amino-2-oxopropyl)pyridine-3-carbonitrile
CID 55292710
5-cyanopyridine-3-carboxylic acid
CID 22174782
tert-butyl N-[1-(4-cyanophenyl)-3-hydroxypropyl]-N-hydroxycarbamate
CID 129188716
5-(3-chloro-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171861687
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618
5-[(1S)-1-aminopropyl]pyridine-3-carbonitrile
CID 130664792
5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carbonitrile
CID 171880909
5-[(1R)-1-aminopentyl]pyridine-3-carbonitrile
CID 55263350
N-benzyl-5-cyano-N-[(2S)-4-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 97061706
4-(5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483214

Frequently Asked Questions

What is the IUPAC name of [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid?
The IUPAC name of [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid (CID 175327842) is [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid.
What is the SMILES notation for [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid?
The canonical SMILES for [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid is N#Cc1cncc(C(CCO)N(O)C(=O)O)c1.
What is the InChIKey of [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid?
The InChIKey is PKYCUPCCKIQIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-4-7-3-8(6-12-5-7)9(1-2-14)13(17)10(15)16/h3,5-6,9,14,17H,1-2H2,(H,15,16).
What are the key properties of [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid?
[1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid has a molecular weight of 237.22 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyano-3-pyridinyl)-3-hydroxypropyl]-hydroxycarbamic acid is sourced from PubChem (CID 175327842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).