5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide

C17H13Cl2N5O3 — CID 21093869

IUPAC5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-n2ncc(=O)[nH]c2=O)ncc1Cl
InChIInChI=1S/C17H13Cl2N5O3/c18-12-4-2-1-3-10(12)5-6-20-16(26)11-7-14(21-8-13(11)19)24-17(27)23-15(25)9-22-24/h1-4,7-9H,5-6H2,(H,20,26)(H,23,25,27)
InChIKeySVHCUZSPMUOYPS-UHFFFAOYSA-N
MW406.23 g/mol
LogP1.60
Rot. Bonds5

About 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide

5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide (PubChem CID 21093869) has the molecular formula C17H13Cl2N5O3 and a molecular weight of 406.23 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide
PubChem CID21093869
Molecular FormulaC17H13Cl2N5O3
Molecular Weight406.23 g/mol
Exact Mass405.04
IUPAC Name5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-n2ncc(=O)[nH]c2=O)ncc1Cl
InChIInChI=1S/C17H13Cl2N5O3/c18-12-4-2-1-3-10(12)5-6-20-16(26)11-7-14(21-8-13(11)19)24-17(27)23-15(25)9-22-24/h1-4,7-9H,5-6H2,(H,20,26)(H,23,25,27)
InChIKeySVHCUZSPMUOYPS-UHFFFAOYSA-N
XLogP1.60
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279
4-chloro-N-[4-[(5-methylpyridin-2-yl)amino]-4-oxobutyl]benzamide
CID 18106807
2-chloro-N-(pyridin-2-yl)benzamide
CID 350153
2-chloro-N-(4-methylpyridin-2-yl)benzamide
CID 835324
2-chloro-N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 16573403
2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 24686889
2,6-dichloro-N-[2-(ethylcarbamoylamino)-4-pyridinyl]benzamide
CID 72374600
N-[4-[(2-acetamidoethylamino)methyl]-2-pyridinyl]-2-chloro-3-phenylbenzamide
CID 166634633
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
2-chloro-N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24241166
N-(7-(2-chlorophenyl)-5-oxo-5,6-dihydro-2,6-naphthyridin-3-yl)cyclopropanecarboxamide
CID 68095319
Benzamide, 2-chloro-N-(((5-chloro-2-pyridinyl)amino)carbonyl)-6-fluoro-
CID 174171

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide (CID 21093869) is 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide is O=C(NCCc1ccccc1Cl)c1cc(-n2ncc(=O)[nH]c2=O)ncc1Cl.
What is the InChIKey of 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide?
The InChIKey is SVHCUZSPMUOYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O3/c18-12-4-2-1-3-10(12)5-6-20-16(26)11-7-14(21-8-13(11)19)24-17(27)23-15(25)9-22-24/h1-4,7-9H,5-6H2,(H,20,26)(H,23,25,27).
What are the key properties of 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide?
5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide has a molecular weight of 406.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chlorophenyl)ethyl]-2-(3,5-dioxo-1,2,4-triazin-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 21093869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).