2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide

C17H17Cl2N3O2 — CID 34746930

IUPAC2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-3-22(4-2)17(24)13-6-5-12(10-14(13)18)21-16(23)11-7-8-20-15(19)9-11/h5-10H,3-4H2,1-2H3,(H,21,23)
InChIKeyGDDGAAXZCUCLEK-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.12
Rot. Bonds5

About 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide

2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 34746930) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
PubChem CID34746930
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C17H17Cl2N3O2/c1-3-22(4-2)17(24)13-6-5-12(10-14(13)18)21-16(23)11-7-8-20-15(19)9-11/h5-10H,3-4H2,1-2H3,(H,21,23)
InChIKeyGDDGAAXZCUCLEK-UHFFFAOYSA-N
XLogP4.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.12
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

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 34745053
2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 55673174
2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 34746028
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961
2-chloro-N,N-diethyl-4-[[2-(tetrazol-1-yl)benzoyl]amino]benzamide
CID 55673413
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 60776316
2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35277482
2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
CID 52806998
4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
CID 55673108
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide (CID 34746930) is 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccnc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is GDDGAAXZCUCLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-3-22(4-2)17(24)13-6-5-12(10-14(13)18)21-16(23)11-7-8-20-15(19)9-11/h5-10H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide?
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 34746930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).