3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide

C15H17N3O2 — CID 81091759

IUPAC3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)Nc2ccncc2C)c1
InChIInChI=1S/C15H17N3O2/c1-3-20-13-7-11(6-12(16)8-13)15(19)18-14-4-5-17-9-10(14)2/h4-9H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyMPHOTMOZZPPCKR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.62
Rot. Bonds4

About 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide

3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide (PubChem CID 81091759) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide
PubChem CID81091759
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)Nc2ccncc2C)c1
InChIInChI=1S/C15H17N3O2/c1-3-20-13-7-11(6-12(16)8-13)15(19)18-14-4-5-17-9-10(14)2/h4-9H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyMPHOTMOZZPPCKR-UHFFFAOYSA-N
XLogP2.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,5-dibromophenyl)-5-ethoxybenzamide
CID 81092795
3-amino-N-(3-bromo-2-methylphenyl)-5-ethoxybenzamide
CID 107623961
3-amino-5-ethoxy-N-(3-methoxyphenyl)benzamide
CID 81094945
3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide
CID 71998645
N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 63670386
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
methyl 3-amino-5-ethoxybenzoate
CID 45089063
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
5-ethoxy-3-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,3-diamine
CID 114698467
3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide (CID 81091759) is 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide is CCOc1cc(N)cc(C(=O)Nc2ccncc2C)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is MPHOTMOZZPPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-13-7-11(6-12(16)8-13)15(19)18-14-4-5-17-9-10(14)2/h4-9H,3,16H2,1-2H3,(H,17,18,19).
What are the key properties of 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide?
3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 81091759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).