6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C23H23ClN2O5 — CID 25222899

IUPAC6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(-c2nc(Cl)ccc2C(=O)NCCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H23ClN2O5/c1-28-18-13-15(14-19(29-2)22(18)30-3)21-17(9-10-20(24)26-21)23(27)25-11-12-31-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,25,27)
InChIKeyUQZMWBOTCXKYNS-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.24
Rot. Bonds9

About 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 25222899) has the molecular formula C23H23ClN2O5 and a molecular weight of 442.90 g/mol. Its IUPAC name is 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID25222899
Molecular FormulaC23H23ClN2O5
Molecular Weight442.90 g/mol
Exact Mass442.13
IUPAC Name6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(-c2nc(Cl)ccc2C(=O)NCCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H23ClN2O5/c1-28-18-13-15(14-19(29-2)22(18)30-3)21-17(9-10-20(24)26-21)23(27)25-11-12-31-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,25,27)
InChIKeyUQZMWBOTCXKYNS-UHFFFAOYSA-N
XLogP4.24
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide
CID 2292777
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 25218706
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 114918295
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
2-chloro-N-(2-phenoxyethyl)quinoline-6-carboxamide
CID 55730969
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 24549627
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 25222899) is 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(-c2nc(Cl)ccc2C(=O)NCCOc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is UQZMWBOTCXKYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5/c1-28-18-13-15(14-19(29-2)22(18)30-3)21-17(9-10-20(24)26-21)23(27)25-11-12-31-16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,25,27).
What are the key properties of 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 25222899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).