2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide

C12H9Cl2N3O — CID 106934917

IUPAC2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)ncc1Cl)c1ccncc1
InChIInChI=1S/C12H9Cl2N3O/c1-17(8-2-4-15-5-3-8)12(18)9-6-11(14)16-7-10(9)13/h2-7H,1H3
InChIKeyCMUFVZMSDIFSOX-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.06
Rot. Bonds2

About 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide

2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide (PubChem CID 106934917) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
PubChem CID106934917
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)ncc1Cl)c1ccncc1
InChIInChI=1S/C12H9Cl2N3O/c1-17(8-2-4-15-5-3-8)12(18)9-6-11(14)16-7-10(9)13/h2-7H,1H3
InChIKeyCMUFVZMSDIFSOX-UHFFFAOYSA-N
XLogP3.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
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

2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
CID 114918456
2,5-dichloro-N-(3,5-dimethylphenyl)-N-methylpyridine-4-carboxamide
CID 114918352
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106934859
2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
CID 106934198
2,4-diamino-N-methyl-N-pyridin-4-ylbenzamide
CID 106934261
3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936060
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114922855
2-chloro-N-methyl-3-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934906
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide (CID 106934917) is 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide is CN(C(=O)c1cc(Cl)ncc1Cl)c1ccncc1.
What is the InChIKey of 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide?
The InChIKey is CMUFVZMSDIFSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c1-17(8-2-4-15-5-3-8)12(18)9-6-11(14)16-7-10(9)13/h2-7H,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide?
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide has a molecular weight of 282.13 g/mol, XLogP of 3.06, 2 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-pyridin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 106934917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).