N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide

C9H14N2O2 — CID 88750442

IUPACN-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide
SMILESCCCN(O)C(=O)C1C=CC=CN1
InChIInChI=1S/C9H14N2O2/c1-2-7-11(13)9(12)8-5-3-4-6-10-8/h3-6,8,10,13H,2,7H2,1H3
InChIKeyAWTLENQCQYJQBC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.66
Rot. Bonds3

About N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide

N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide (PubChem CID 88750442) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide
PubChem CID88750442
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide
SMILESCCCN(O)C(=O)C1C=CC=CN1
InChIInChI=1S/C9H14N2O2/c1-2-7-11(13)9(12)8-5-3-4-6-10-8/h3-6,8,10,13H,2,7H2,1H3
InChIKeyAWTLENQCQYJQBC-UHFFFAOYSA-N
XLogP0.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide?
The IUPAC name of N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide (CID 88750442) is N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide is CCCN(O)C(=O)C1C=CC=CN1.
What is the InChIKey of N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide?
The InChIKey is AWTLENQCQYJQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-7-11(13)9(12)8-5-3-4-6-10-8/h3-6,8,10,13H,2,7H2,1H3.
What are the key properties of N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide?
N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-propyl-1,2-dihydropyridine-2-carboxamide is sourced from PubChem (CID 88750442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).