N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide

C10H12ClN3O3 — CID 44999728

IUPACN'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C10H12ClN3O3/c11-8-7(3-1-4-12-8)14-10(17)9(16)13-5-2-6-15/h1,3-4,15H,2,5-6H2,(H,13,16)(H,14,17)
InChIKeyBPYBISKSDOXJPG-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.17
Rot. Bonds4

About N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide

N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide (PubChem CID 44999728) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
PubChem CID44999728
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC NameN'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C10H12ClN3O3/c11-8-7(3-1-4-12-8)14-10(17)9(16)13-5-2-6-15/h1,3-4,15H,2,5-6H2,(H,13,16)(H,14,17)
InChIKeyBPYBISKSDOXJPG-UHFFFAOYSA-N
XLogP0.17
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44999763
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
CID 44902462
N'-(2,3-dichlorophenyl)-N-(3-hydroxypropyl)oxamide
CID 2266325
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
N'-(2-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108520475
N'-(2-chloro-3-pyridinyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108520506
N-(3-hydroxypropyl)-N'-naphthalen-1-yloxamide
CID 3102414
N'-(2-carbamoylphenyl)-N-(3-hydroxypropyl)oxamide
CID 108524213
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
1-(2-chloro-3-pyridinyl)-3-(3-oxobutyl)urea
CID 108895086
N-(3-hydroxypropyl)-N'-(2-propylphenyl)oxamide
CID 47224610

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide (CID 44999728) is N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide is O=C(NCCCO)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide?
The InChIKey is BPYBISKSDOXJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-8-7(3-1-4-12-8)14-10(17)9(16)13-5-2-6-15/h1,3-4,15H,2,5-6H2,(H,13,16)(H,14,17).
What are the key properties of N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide?
N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide has a molecular weight of 257.68 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 44999728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).