2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide

C21H19ClN2O5 — CID 154311535

IUPAC2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide
SMILESCOc1[nH]c(Cl)c(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(=O)c1OC
InChIInChI=1S/C21H19ClN2O5/c1-24(13-9-11-15(12-10-13)29-14-7-5-4-6-8-14)21(26)16-17(25)18(27-2)20(28-3)23-19(16)22/h4-12H,1-3H3,(H,23,25)
InChIKeyFZEZCMFROTXDDW-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.11
Rot. Bonds6

About 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide

2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide (PubChem CID 154311535) has the molecular formula C21H19ClN2O5 and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide
PubChem CID154311535
Molecular FormulaC21H19ClN2O5
Molecular Weight414.85 g/mol
Exact Mass414.10
IUPAC Name2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide
SMILESCOc1[nH]c(Cl)c(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(=O)c1OC
InChIInChI=1S/C21H19ClN2O5/c1-24(13-9-11-15(12-10-13)29-14-7-5-4-6-8-14)21(26)16-17(25)18(27-2)20(28-3)23-19(16)22/h4-12H,1-3H3,(H,23,25)
InChIKeyFZEZCMFROTXDDW-UHFFFAOYSA-N
XLogP4.11
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-2-methoxy-N-methyl-N-phenylbenzamide
CID 86210175
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
2,4-difluoro-N-methyl-N-(4-phenoxyphenyl)benzamide
CID 47085591
2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide
CID 67428238
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
(3R)-N-methyl-6-oxo-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 95292808
5-(tert-butylsulfamoyl)-N-methyl-N-(4-phenoxyphenyl)furan-2-carboxamide
CID 47085584
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687
2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
2-(aminomethyl)-N-methyl-N-(4-phenoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
CID 166363200
3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-N,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 25223870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide (CID 154311535) is 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide is COc1[nH]c(Cl)c(C(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(=O)c1OC.
What is the InChIKey of 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide?
The InChIKey is FZEZCMFROTXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5/c1-24(13-9-11-15(12-10-13)29-14-7-5-4-6-8-14)21(26)16-17(25)18(27-2)20(28-3)23-19(16)22/h4-12H,1-3H3,(H,23,25).
What are the key properties of 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide?
2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethoxy-N-methyl-4-oxo-N-(4-phenoxyphenyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 154311535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).