3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide

C19H25N3O2 — CID 126437763

IUPAC3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide
SMILESCCO[C@@H](CC)CNC(=O)c1cccc(-c2cnc(N)c(C)c2)c1
InChIInChI=1S/C19H25N3O2/c1-4-17(24-5-2)12-22-19(23)15-8-6-7-14(10-15)16-9-13(3)18(20)21-11-16/h6-11,17H,4-5,12H2,1-3H3,(H2,20,21)(H,22,23)/t17-/m0/s1
InChIKeySPQXFLXYXBVGLN-KRWDZBQOSA-N
MW327.43 g/mol
LogP3.18
Rot. Bonds7

About 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide

3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide (PubChem CID 126437763) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide.

Molecular Properties

Compound Name3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide
PubChem CID126437763
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide
SMILESCCO[C@@H](CC)CNC(=O)c1cccc(-c2cnc(N)c(C)c2)c1
InChIInChI=1S/C19H25N3O2/c1-4-17(24-5-2)12-22-19(23)15-8-6-7-14(10-15)16-9-13(3)18(20)21-11-16/h6-11,17H,4-5,12H2,1-3H3,(H2,20,21)(H,22,23)/t17-/m0/s1
InChIKeySPQXFLXYXBVGLN-KRWDZBQOSA-N
XLogP3.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide?
The IUPAC name of 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide (CID 126437763) is 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide.
What is the SMILES notation for 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide?
The canonical SMILES for 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide is CCO[C@@H](CC)CNC(=O)c1cccc(-c2cnc(N)c(C)c2)c1.
What is the InChIKey of 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide?
The InChIKey is SPQXFLXYXBVGLN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-17(24-5-2)12-22-19(23)15-8-6-7-14(10-15)16-9-13(3)18(20)21-11-16/h6-11,17H,4-5,12H2,1-3H3,(H2,20,21)(H,22,23)/t17-/m0/s1.
What are the key properties of 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide?
3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide is sourced from PubChem (CID 126437763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).