5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C13H11Cl2N3O — CID 43564503

IUPAC5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c1-18(8-9-2-4-16-5-3-9)13(19)10-6-11(14)12(15)17-7-10/h2-7H,8H2,1H3
InChIKeyGQAIICVAFTYIFV-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.06
Rot. Bonds3

About 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 43564503) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID43564503
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c1-18(8-9-2-4-16-5-3-9)13(19)10-6-11(14)12(15)17-7-10/h2-7H,8H2,1H3
InChIKeyGQAIICVAFTYIFV-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.06
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-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62169928
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47039296
5,6-dichloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628265
6-amino-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62156193
5,6-dichloro-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243474
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
CID 63695366
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
5,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47442951
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 43564503) is 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is CN(Cc1ccncc1)C(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GQAIICVAFTYIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-18(8-9-2-4-16-5-3-9)13(19)10-6-11(14)12(15)17-7-10/h2-7H,8H2,1H3.
What are the key properties of 5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 3.06, 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-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43564503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).