2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C13H16Cl2N2O2 — CID 103881825

IUPAC2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-17(8-9-4-6-19-7-5-9)13(18)10-2-3-11(14)16-12(10)15/h2-3,9H,4-8H2,1H3
InChIKeyAHRYTHDIQAOMFM-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.89
Rot. Bonds3

About 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 103881825) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID103881825
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-17(8-9-4-6-19-7-5-9)13(18)10-2-3-11(14)16-12(10)15/h2-3,9H,4-8H2,1H3
InChIKeyAHRYTHDIQAOMFM-UHFFFAOYSA-N
XLogP2.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 106993833
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 106993943
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 114037709
4-fluoro-2-iodo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 113344764
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923612
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 62053831
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707112

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 103881825) is 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is CN(CC1CCOCC1)C(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AHRYTHDIQAOMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-17(8-9-4-6-19-7-5-9)13(18)10-2-3-11(14)16-12(10)15/h2-3,9H,4-8H2,1H3.
What are the key properties of 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103881825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).