N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide

C22H23N3O3 — CID 109228165

IUPACN-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C22H23N3O3/c1-27-13-7-12-24-22(26)17-14-18(16-23-15-17)25-20-10-5-6-11-21(20)28-19-8-3-2-4-9-19/h2-6,8-11,14-16,25H,7,12-13H2,1H3,(H,24,26)
InChIKeyBDSBTNSGKHLIGB-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.38
Rot. Bonds9

About N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide

N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide (PubChem CID 109228165) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide
PubChem CID109228165
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cncc(Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C22H23N3O3/c1-27-13-7-12-24-22(26)17-14-18(16-23-15-17)25-20-10-5-6-11-21(20)28-19-8-3-2-4-9-19/h2-6,8-11,14-16,25H,7,12-13H2,1H3,(H,24,26)
InChIKeyBDSBTNSGKHLIGB-UHFFFAOYSA-N
XLogP4.38
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228037
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
5-(2,4-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228170
methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300
N-(3-methoxypropyl)-2-phenoxyaniline
CID 54935925
5-(3,4-difluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228185

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide (CID 109228165) is N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide is COCCCNC(=O)c1cncc(Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide?
The InChIKey is BDSBTNSGKHLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-13-7-12-24-22(26)17-14-18(16-23-15-17)25-20-10-5-6-11-21(20)28-19-8-3-2-4-9-19/h2-6,8-11,14-16,25H,7,12-13H2,1H3,(H,24,26).
What are the key properties of N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide?
N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109228165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).