N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide

C23H30N4O4 — CID 118873084

IUPACN-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC[C@@](O)(C(N)=O)N3CCCCCC3)cc2)ccn1
InChIInChI=1S/C23H30N4O4/c1-17-14-18(10-11-25-17)15-31-20-8-6-19(7-9-20)21(28)26-16-23(30,22(24)29)27-12-4-2-3-5-13-27/h6-11,14,30H,2-5,12-13,15-16H2,1H3,(H2,24,29)(H,26,28)/t23-/m1/s1
InChIKeyWWFMWSXHGKRSGH-HSZRJFAPSA-N
MW426.52 g/mol
LogP1.75
Rot. Bonds8

About N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide

N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide (PubChem CID 118873084) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide
PubChem CID118873084
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC[C@@](O)(C(N)=O)N3CCCCCC3)cc2)ccn1
InChIInChI=1S/C23H30N4O4/c1-17-14-18(10-11-25-17)15-31-20-8-6-19(7-9-20)21(28)26-16-23(30,22(24)29)27-12-4-2-3-5-13-27/h6-11,14,30H,2-5,12-13,15-16H2,1H3,(H2,24,29)(H,26,28)/t23-/m1/s1
InChIKeyWWFMWSXHGKRSGH-HSZRJFAPSA-N
XLogP1.75
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide?
The IUPAC name of N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide (CID 118873084) is N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide.
What is the SMILES notation for N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide?
The canonical SMILES for N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC[C@@](O)(C(N)=O)N3CCCCCC3)cc2)ccn1.
What is the InChIKey of N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide?
The InChIKey is WWFMWSXHGKRSGH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-17-14-18(10-11-25-17)15-31-20-8-6-19(7-9-20)21(28)26-16-23(30,22(24)29)27-12-4-2-3-5-13-27/h6-11,14,30H,2-5,12-13,15-16H2,1H3,(H2,24,29)(H,26,28)/t23-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide?
N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide has a molecular weight of 426.52 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-(azepan-1-yl)-2-hydroxy-3-oxopropyl]-4-[(2-methyl-4-pyridinyl)methoxy]benzamide is sourced from PubChem (CID 118873084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).