N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide

C20H18Cl2N4O2 — CID 59673722

IUPACN-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide
SMILESCOCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C20H18Cl2N4O2/c1-28-10-9-23-17-11-13(19-16(21)3-2-7-25-19)4-5-15(17)20(27)26-14-6-8-24-18(22)12-14/h2-8,11-12,23H,9-10H2,1H3,(H,24,26,27)
InChIKeyBEQIWKOSPYSAOL-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.76
Rot. Bonds7

About N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide

N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide (PubChem CID 59673722) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide
PubChem CID59673722
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC NameN-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide
SMILESCOCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C20H18Cl2N4O2/c1-28-10-9-23-17-11-13(19-16(21)3-2-7-25-19)4-5-15(17)20(27)26-14-6-8-24-18(22)12-14/h2-8,11-12,23H,9-10H2,1H3,(H,24,26,27)
InChIKeyBEQIWKOSPYSAOL-UHFFFAOYSA-N
XLogP4.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide (CID 59673722) is N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide is COCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide?
The InChIKey is BEQIWKOSPYSAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-28-10-9-23-17-11-13(19-16(21)3-2-7-25-19)4-5-15(17)20(27)26-14-6-8-24-18(22)12-14/h2-8,11-12,23H,9-10H2,1H3,(H,24,26,27).
What are the key properties of N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide?
N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide has a molecular weight of 417.30 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide is sourced from PubChem (CID 59673722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).