5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C11H12Cl2N2O2 — CID 3923546

IUPAC5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c12-9-4-7(5-14-10(9)13)11(16)15-6-8-2-1-3-17-8/h4-5,8H,1-3,6H2,(H,15,16)
InChIKeyTWNKWCMQNGBLSP-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.30
Rot. Bonds3

About 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 3923546) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID3923546
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c12-9-4-7(5-14-10(9)13)11(16)15-6-8-2-1-3-17-8/h4-5,8H,1-3,6H2,(H,15,16)
InChIKeyTWNKWCMQNGBLSP-UHFFFAOYSA-N
XLogP2.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 1228702
6-Chloro-N-(3-morpholinopropyl)nicotinamide
CID 17144214
5,6-Dichloro-N-(2-morpholinoethyl)nicotinamide
CID 29786172
5,6-Dichloro-N-(3-morpholinopropyl)nicotinamide
CID 43236315
2-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 3466480
5-bromo-N-(tetrahydro-2-furanylmethyl)nicotinamide
CID 4884775
2-Chloro-N-(3-morpholinopropyl)nicotinamide
CID 4124566
5,6-dichloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2082789
N-benzyl-5,6-dichloropyridine-3-carboxamide
CID 2115887
(Cyclopropylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 2467462
(Cyclopentylcarbamoyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 2432473
1-methyl-N-(oxolan-2-ylmethyl)pyridin-1-ium-3-carboxamide iodide
CID 15945803

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 3923546) is 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is TWNKWCMQNGBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-9-4-7(5-14-10(9)13)11(16)15-6-8-2-1-3-17-8/h4-5,8H,1-3,6H2,(H,15,16).
What are the key properties of 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 275.13 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3923546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).