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

C18H10Cl3N3O2 — CID 170697178

IUPACN-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide
SMILESO=Cc1ccc(C(=O)Nc2cccc(-c3ccnc(Cl)c3Cl)c2Cl)nc1
InChIInChI=1S/C18H10Cl3N3O2/c19-15-11(12-6-7-22-17(21)16(12)20)2-1-3-13(15)24-18(26)14-5-4-10(9-25)8-23-14/h1-9H,(H,24,26)
InChIKeyCAGHDMOAKGROMS-UHFFFAOYSA-N
MW406.66 g/mol
LogP5.17
Rot. Bonds4

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

N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide (PubChem CID 170697178) has the molecular formula C18H10Cl3N3O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide
PubChem CID170697178
Molecular FormulaC18H10Cl3N3O2
Molecular Weight406.66 g/mol
Exact Mass404.98
IUPAC NameN-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide
SMILESO=Cc1ccc(C(=O)Nc2cccc(-c3ccnc(Cl)c3Cl)c2Cl)nc1
InChIInChI=1S/C18H10Cl3N3O2/c19-15-11(12-6-7-22-17(21)16(12)20)2-1-3-13(15)24-18(26)14-5-4-10(9-25)8-23-14/h1-9H,(H,24,26)
InChIKeyCAGHDMOAKGROMS-UHFFFAOYSA-N
XLogP5.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-methylpyridine-2-carboxamide
CID 175513117
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-chloro-2-[3-methoxy-4-(methylaminomethyl)phenyl]-4-pyridinyl]phenyl]-5-formylpyridine-2-carboxamide
CID 175513036
N-[2-chloro-3-[3-[(3-ethenyl-1,7-naphthyridin-8-yl)amino]-2-methylphenyl]phenyl]-5-ethenylpyridine-2-carboxamide
CID 135174046
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[3-(2,3-dichloro-4-pyridinyl)-2-methylphenyl]pyridine-2-carboxamide
CID 171489763
N-[2-chloro-3-[3-[7-chloro-5-(piperidin-1-ylmethyl)-1,3-benzoxazol-2-yl]-2-methylphenyl]phenyl]-5-formylpyridine-2-carboxamide
CID 135176339
N-[2-chloro-3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]phenyl]-5-methylpyridine-2-carboxamide
CID 175513110
(2S)-1-[[2-[3-[2-chloro-3-[(5-formylpyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]-7-methyl-1,3-benzoxazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 149030152
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
2,3-dichloro-N-(5-formyl-2-pyridinyl)benzamide
CID 54312256
3-chloro-N-[2-chloro-3-[2-chloro-3-[[5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide
CID 162377260
N-[2-chloro-3-[3-[[3-[(2-hydroxyethylamino)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-5-(dimethoxymethyl)pyridine-2-carboxamide
CID 135146181

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide (CID 170697178) is N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide is O=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-formylpyridine-2-carboxamide?
The InChIKey is CAGHDMOAKGROMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3N3O2/c19-15-11(12-6-7-22-17(21)16(12)20)2-1-3-13(15)24-18(26)14-5-4-10(9-25)8-23-14/h1-9H,(H,24,26).
What are the key properties of N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide?
N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide has a molecular weight of 406.66 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(2,3-dichloro-4-pyridinyl)phenyl]-5-formylpyridine-2-carboxamide is sourced from PubChem (CID 170697178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).