2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide

C12H14Cl2N2O2 — CID 114113552

IUPAC2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2ccc(Cl)nc2Cl)CCCOC1
InChIInChI=1S/C12H14Cl2N2O2/c1-12(5-2-6-18-7-12)16-11(17)8-3-4-9(13)15-10(8)14/h3-4H,2,5-7H2,1H3,(H,16,17)
InChIKeyAJKYVSOAPZUKNI-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.69
Rot. Bonds2

About 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide

2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide (PubChem CID 114113552) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
PubChem CID114113552
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2ccc(Cl)nc2Cl)CCCOC1
InChIInChI=1S/C12H14Cl2N2O2/c1-12(5-2-6-18-7-12)16-11(17)8-3-4-9(13)15-10(8)14/h3-4H,2,5-7H2,1H3,(H,16,17)
InChIKeyAJKYVSOAPZUKNI-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.69
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

2-chloro-N-(3-methyloxan-3-yl)furan-3-carboxamide
CID 106812547
5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 113347966
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
CID 114113473
2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 106994379
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
2,6-dichloro-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 103747169
3-fluoro-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 103897058
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264
3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 114114566
2,6-dichloro-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
CID 103721956
2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide
CID 103897052

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide (CID 114113552) is 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide is CC1(NC(=O)c2ccc(Cl)nc2Cl)CCCOC1.
What is the InChIKey of 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide?
The InChIKey is AJKYVSOAPZUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-12(5-2-6-18-7-12)16-11(17)8-3-4-9(13)15-10(8)14/h3-4H,2,5-7H2,1H3,(H,16,17).
What are the key properties of 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide?
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114113552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).