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

C13H16Cl2N2O2 — CID 61218020

IUPAC5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-17(8-10-4-2-3-5-19-10)13(18)9-6-11(14)12(15)16-7-9/h6-7,10H,2-5,8H2,1H3
InChIKeyGINOMFWLFADSSI-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.03
Rot. Bonds3

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

5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 61218020) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID61218020
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-17(8-10-4-2-3-5-19-10)13(18)9-6-11(14)12(15)16-7-9/h6-7,10H,2-5,8H2,1H3
InChIKeyGINOMFWLFADSSI-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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

2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 114918226
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107252486
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
5,6-dichloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79314462
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
5-chloro-2-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114922760
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide (CID 61218020) is 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide is CN(CC1CCCCO1)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GINOMFWLFADSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-17(8-10-4-2-3-5-19-10)13(18)9-6-11(14)12(15)16-7-9/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide?
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 61218020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).