2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide

C14H11Cl2N3O2 — CID 21325127

IUPAC2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccnc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c1-19(13(20)11-3-2-8-17-12(11)16)14(21)18-10-6-4-9(15)5-7-10/h2-8H,1H3,(H,18,21)
InChIKeyXXOPBEYAMPQFOC-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.69
Rot. Bonds2

About 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide

2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide (PubChem CID 21325127) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide
PubChem CID21325127
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccnc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c1-19(13(20)11-3-2-8-17-12(11)16)14(21)18-10-6-4-9(15)5-7-10/h2-8H,1H3,(H,18,21)
InChIKeyXXOPBEYAMPQFOC-UHFFFAOYSA-N
XLogP3.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.69
H-Bond Donors ≤ 51
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-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 55389617
2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106934859
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
N-[4-(acetylcarbamothioylamino)phenyl]-2-chloropyridine-3-carboxamide
CID 930095
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide (CID 21325127) is 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide is CN(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide?
The InChIKey is XXOPBEYAMPQFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-19(13(20)11-3-2-8-17-12(11)16)14(21)18-10-6-4-9(15)5-7-10/h2-8H,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide?
2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)carbamoyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 21325127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).