2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide

C12H10ClN3O — CID 106934859

IUPAC2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1Cl)c1ccncc1
InChIInChI=1S/C12H10ClN3O/c1-16(9-4-7-14-8-5-9)12(17)10-3-2-6-15-11(10)13/h2-8H,1H3
InChIKeyWEZBIYCOCUDKBH-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.41
Rot. Bonds2

About 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide

2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 106934859) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID106934859
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1Cl)c1ccncc1
InChIInChI=1S/C12H10ClN3O/c1-16(9-4-7-14-8-5-9)12(17)10-3-2-6-15-11(10)13/h2-8H,1H3
InChIKeyWEZBIYCOCUDKBH-UHFFFAOYSA-N
XLogP2.41
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.41
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-chloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 61053761
2-chloro-N-methyl-3-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934906
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
2,5-dichloro-N-methyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934917
3-amino-N-methyl-N-pyridin-4-ylpyridine-2-carboxamide
CID 106934951
2-(ethylamino)-N-methyl-N-pyridin-4-ylbenzamide
CID 106936402
2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide
CID 15075716
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
3-amino-2-bromo-N-methyl-N-pyridin-4-ylbenzamide
CID 106934244
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
CID 106934198
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide (CID 106934859) is 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide is CN(C(=O)c1cccnc1Cl)c1ccncc1.
What is the InChIKey of 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is WEZBIYCOCUDKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-16(9-4-7-14-8-5-9)12(17)10-3-2-6-15-11(10)13/h2-8H,1H3.
What are the key properties of 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide?
2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 106934859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).