N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide

C18H23N3O2 — CID 109183920

IUPACN-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccccc2C(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-13(2)15-6-4-5-7-16(15)21-14-8-9-17(20-12-14)18(22)19-10-11-23-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,19,22)
InChIKeyFHGIBAUQMRPDAN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.32
Rot. Bonds7

About N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide

N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109183920) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109183920
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccccc2C(C)C)cn1
InChIInChI=1S/C18H23N3O2/c1-13(2)15-6-4-5-7-16(15)21-14-8-9-17(20-12-14)18(22)19-10-11-23-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,19,22)
InChIKeyFHGIBAUQMRPDAN-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183927
N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183921
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198658
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109197573
N-(3-methylbutyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109195550
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
5-(2-methyl-6-propan-2-ylanilino)-N-propylpyridine-2-carboxamide
CID 109179150

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide (CID 109183920) is N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide is COCCNC(=O)c1ccc(Nc2ccccc2C(C)C)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is FHGIBAUQMRPDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)15-6-4-5-7-16(15)21-14-8-9-17(20-12-14)18(22)19-10-11-23-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109183920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).