4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide

C19H25N3O2 — CID 113025045

IUPAC4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
SMILESCOCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)15-7-5-14(6-8-15)18(23)22-17-10-9-16(13-21-17)20-11-12-24-4/h5-10,13,20H,11-12H2,1-4H3,(H,21,22,23)
InChIKeySOBCJDWGOUYEPC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.69
Rot. Bonds6

About 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide

4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide (PubChem CID 113025045) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
PubChem CID113025045
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
SMILESCOCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)15-7-5-14(6-8-15)18(23)22-17-10-9-16(13-21-17)20-11-12-24-4/h5-10,13,20H,11-12H2,1-4H3,(H,21,22,23)
InChIKeySOBCJDWGOUYEPC-UHFFFAOYSA-N
XLogP3.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.69
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

4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
CID 113039421
N-[5-(2-methoxyethylamino)-2-pyridinyl]pyridine-3-carboxamide
CID 113025065
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
3,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023443
3-fluoro-N-[5-(3-methoxypropylamino)-2-pyridinyl]benzamide
CID 113025164

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide (CID 113025045) is 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide is COCCNc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide?
The InChIKey is SOBCJDWGOUYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)15-7-5-14(6-8-15)18(23)22-17-10-9-16(13-21-17)20-11-12-24-4/h5-10,13,20H,11-12H2,1-4H3,(H,21,22,23).
What are the key properties of 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide?
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113025045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).