N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide

C14H11Cl2N3O2 — CID 154825023

IUPACN-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(N(C(N)=O)C(=O)c2cc(Cl)cnc2Cl)cc1
InChIInChI=1S/C14H11Cl2N3O2/c1-8-2-4-10(5-3-8)19(14(17)21)13(20)11-6-9(15)7-18-12(11)16/h2-7H,1H3,(H2,17,21)
InChIKeyKSKHWFLZWNCMHA-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.42
Rot. Bonds2

About N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide

N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 154825023) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID154825023
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(N(C(N)=O)C(=O)c2cc(Cl)cnc2Cl)cc1
InChIInChI=1S/C14H11Cl2N3O2/c1-8-2-4-10(5-3-8)19(14(17)21)13(20)11-6-9(15)7-18-12(11)16/h2-7H,1H3,(H2,17,21)
InChIKeyKSKHWFLZWNCMHA-UHFFFAOYSA-N
XLogP3.42
TPSA76.29 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 ≤ 53.42
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

S-(4-methylphenyl) 2,5-dichloropyridine-3-carbothioate
CID 2800038
N-butyl-2,5-dichloropyridine-3-carbohydrazide
CID 24827421
2,5-dichloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2800027
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62000237
ethyl N-carbamoyl-N-(4-methylphenyl)carbamate
CID 3044299
propan-2-yl 2,5-dichloropyridine-3-carboxylate
CID 133060065
2-amino-5-chloro-N-ethyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 114922711
2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide
CID 10655673
2-N,7-N-dicarbamoyl-2-N,7-N-bis(4-chlorophenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
CID 140992627
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
CID 2800108
4-amino-N,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 81242475

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide (CID 154825023) is N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(N(C(N)=O)C(=O)c2cc(Cl)cnc2Cl)cc1.
What is the InChIKey of N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is KSKHWFLZWNCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-8-2-4-10(5-3-8)19(14(17)21)13(20)11-6-9(15)7-18-12(11)16/h2-7H,1H3,(H2,17,21).
What are the key properties of N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide?
N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2,5-dichloro-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 154825023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).