N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide

C18H23N3O2 — CID 109183921

IUPACN-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H23N3O2/c1-13(2)14-4-6-15(7-5-14)21-16-8-9-17(20-12-16)18(22)19-10-11-23-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,19,22)
InChIKeyUVLTZPONWNQLLC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.32
Rot. Bonds7

About N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide

N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109183921) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109183921
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H23N3O2/c1-13(2)14-4-6-15(7-5-14)21-16-8-9-17(20-12-16)18(22)19-10-11-23-3/h4-9,12-13,21H,10-11H2,1-3H3,(H,19,22)
InChIKeyUVLTZPONWNQLLC-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

N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183920
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198703
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
5-(2-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183927
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109198682

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide (CID 109183921) is N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide is COCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is UVLTZPONWNQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)14-4-6-15(7-5-14)21-16-8-9-17(20-12-16)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-(4-propan-2-ylanilino)pyridine-2-carboxamide?
N-(2-methoxyethyl)-5-(4-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-(4-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109183921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).