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

C18H14Cl2N4O — CID 59672910

IUPAC4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide
SMILESCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C18H14Cl2N4O/c1-21-15-9-11(17-14(19)3-2-8-22-17)4-6-13(15)18(25)24-12-5-7-16(20)23-10-12/h2-10,21H,1H3,(H,24,25)
InChIKeyXBVRVFQXSWARRT-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.74
Rot. Bonds4

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

4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide (PubChem CID 59672910) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide
PubChem CID59672910
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide
SMILESCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C18H14Cl2N4O/c1-21-15-9-11(17-14(19)3-2-8-22-17)4-6-13(15)18(25)24-12-5-7-16(20)23-10-12/h2-10,21H,1H3,(H,24,25)
InChIKeyXBVRVFQXSWARRT-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide
CID 59781565
2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 59673700
2-amino-N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)benzamide
CID 59673398
N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide
CID 59673722
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240
2-amino-4-(3-chloro-2-pyridinyl)-N-[4-(diethylamino)phenyl]benzamide
CID 59673340
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 90893310
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
CID 59672710
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 59672711
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
5-(3-chloro-2-pyridinyl)-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 143032820

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide (CID 59672910) is 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide is CNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide?
The InChIKey is XBVRVFQXSWARRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-21-15-9-11(17-14(19)3-2-8-22-17)4-6-13(15)18(25)24-12-5-7-16(20)23-10-12/h2-10,21H,1H3,(H,24,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide?
4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide has a molecular weight of 373.24 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide is sourced from PubChem (CID 59672910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).