4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide

C20H18Cl2N4O2 — CID 59781565

IUPAC4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide
SMILESCOCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C20H18Cl2N4O2/c1-28-10-9-23-17-11-13(19-16(21)3-2-8-24-19)4-6-15(17)20(27)26-14-5-7-18(22)25-12-14/h2-8,11-12,23H,9-10H2,1H3,(H,26,27)
InChIKeyDVZXDTGHYCPCEN-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.76
Rot. Bonds7

About 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide

4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide (PubChem CID 59781565) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide
PubChem CID59781565
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide
SMILESCOCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C20H18Cl2N4O2/c1-28-10-9-23-17-11-13(19-16(21)3-2-8-24-19)4-6-15(17)20(27)26-14-5-7-18(22)25-12-14/h2-8,11-12,23H,9-10H2,1H3,(H,26,27)
InChIKeyDVZXDTGHYCPCEN-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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Related Compounds

N-(2-aminophenyl)-4-(3-chloro-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
CID 11597868
n-(2-Aminophenyl)-4-{3-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}benzamide
CID 11712071
2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)-N4-(pyridin-2-ylmethyl)terephthalamide
CID 50898449
6-chloro-N-[2-(morpholin-4-yl)phenyl]pyridine-3-carboxamide
CID 2161481
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(2-morpholin-4-ylethyl)indole-6-carboxamide
CID 44298228
N-(4-chloro-3-(pyridin-2-yl)phenyl)-2,6-dimethylnicotinamide
CID 45485759
o-amino-N-(2-chloro-3-pyridyl)benzamide
CID 70389
5-chloro-N-(6-chloropyridin-3-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)benzamide
CID 44565748
5-(4-chlorophenyl)-N-(2-morpholinobenzyl)nicotinamide
CID 52945882
Propyl 4-(4-chloroquinoline-7-carbonyl)piperazine-1-carboxylate
CID 129028840
N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524505
3-(5-chloro-2-pyridinyl)-5-[methyl(2-methylpropanoyl)amino]-N-(1-pyrazin-2-ylethyl)benzamide
CID 49848718

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide (CID 59781565) is 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide is COCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide?
The InChIKey is DVZXDTGHYCPCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-28-10-9-23-17-11-13(19-16(21)3-2-8-24-19)4-6-15(17)20(27)26-14-5-7-18(22)25-12-14/h2-8,11-12,23H,9-10H2,1H3,(H,26,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide?
4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-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 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide is sourced from PubChem (CID 59781565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).