2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

C13H16Cl2N2O2 — CID 114918226

IUPAC2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-17(8-9-4-2-3-5-19-9)13(18)10-6-12(15)16-7-11(10)14/h6-7,9H,2-5,8H2,1H3
InChIKeyADNMIRAAQSGLMV-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.03
Rot. Bonds3

About 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide

2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 114918226) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
PubChem CID114918226
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-17(8-9-4-2-3-5-19-9)13(18)10-6-12(15)16-7-11(10)14/h6-7,9H,2-5,8H2,1H3
InChIKeyADNMIRAAQSGLMV-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

5-chloro-2-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 114922760
5-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107252486
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
5,6-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 61218020
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982
N,1,2,5-tetramethyl-N-(oxan-2-ylmethyl)pyrrole-3-carboxamide
CID 135113148
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
2-chloro-N-methyl-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62877600

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide (CID 114918226) is 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is CN(CC1CCCCO1)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ADNMIRAAQSGLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-17(8-9-4-2-3-5-19-9)13(18)10-6-12(15)16-7-11(10)14/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide?
2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-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 2,5-dichloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).