2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide

C14H11Cl2N3O2 — CID 114917530

IUPAC2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1
InChIInChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-2-4-9(5-3-8)19-14(21)10-6-12(16)18-7-11(10)15/h2-7H,1H3,(H,17,20)(H,19,21)
InChIKeySKXBSDJFVHOXER-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.00
Rot. Bonds3

About 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide

2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 114917530) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
PubChem CID114917530
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1
InChIInChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-2-4-9(5-3-8)19-14(21)10-6-12(16)18-7-11(10)15/h2-7H,1H3,(H,17,20)(H,19,21)
InChIKeySKXBSDJFVHOXER-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.00
H-Bond Donors ≤ 52
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-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917538
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 114917622
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
CID 114917371
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 18196740
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114917203

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide (CID 114917530) is 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide is CNC(=O)c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is SKXBSDJFVHOXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-17-13(20)8-2-4-9(5-3-8)19-14(21)10-6-12(16)18-7-11(10)15/h2-7H,1H3,(H,17,20)(H,19,21).
What are the key properties of 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 114917530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).