N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide

C18H12Cl3N3O — CID 175513117

IUPACN-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3ccnc(Cl)c3Cl)c2Cl)nc1
InChIInChI=1S/C18H12Cl3N3O/c1-10-5-6-14(23-9-10)18(25)24-13-4-2-3-11(15(13)19)12-7-8-22-17(21)16(12)20/h2-9H,1H3,(H,24,25)
InChIKeyZYWPGWFZECOBMY-UHFFFAOYSA-N
MW392.67 g/mol
LogP5.66
Rot. Bonds3

About N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide

N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide (PubChem CID 175513117) has the molecular formula C18H12Cl3N3O and a molecular weight of 392.67 g/mol. Its IUPAC name is N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide
PubChem CID175513117
Molecular FormulaC18H12Cl3N3O
Molecular Weight392.67 g/mol
Exact Mass391.00
IUPAC NameN-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3ccnc(Cl)c3Cl)c2Cl)nc1
InChIInChI=1S/C18H12Cl3N3O/c1-10-5-6-14(23-9-10)18(25)24-13-4-2-3-11(15(13)19)12-7-8-22-17(21)16(12)20/h2-9H,1H3,(H,24,25)
InChIKeyZYWPGWFZECOBMY-UHFFFAOYSA-N
XLogP5.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 55.66
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-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide
CID 170697178
N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide
CID 175513110
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide
CID 171489763
N-[3-[3-chloro-2-[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-4-pyridinyl]-2-methylphenyl]-5-methylpyridine-2-carboxamide
CID 175513004
N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
CID 170696891
N-[2-chloro-3-[3-[(3-ethenyl-1,7-naphthyridin-8-yl)amino]-2-methylphenyl]phenyl]-5-ethenylpyridine-2-carboxamide
CID 135174046
N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
CID 175513036
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-[2-chloro-3-[3-chloro-2-[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]-4-pyridinyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 170697294
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 139242174
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide (CID 175513117) is N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(-c3ccnc(Cl)c3Cl)c2Cl)nc1.
What is the InChIKey of N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide?
The InChIKey is ZYWPGWFZECOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N3O/c1-10-5-6-14(23-9-10)18(25)24-13-4-2-3-11(15(13)19)12-7-8-22-17(21)16(12)20/h2-9H,1H3,(H,24,25).
What are the key properties of N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide?
N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide has a molecular weight of 392.67 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 175513117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).