Skip to content

N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide

C21H28N4O2 — CID 134700861

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCN(c2ccncc2C)CC1
InChIInChI=1S/C21H28N4O2/c1-17-14-22-9-8-19(17)25-11-5-10-24(12-13-25)16-21(26)23-15-18-6-3-4-7-20(18)27-2/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyNHSBHKODEOPWSQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.23
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 134700861) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide
PubChem CID134700861
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCN(c2ccncc2C)CC1
InChIInChI=1S/C21H28N4O2/c1-17-14-22-9-8-19(17)25-11-5-10-24(12-13-25)16-21(26)23-15-18-6-3-4-7-20(18)27-2/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyNHSBHKODEOPWSQ-UHFFFAOYSA-N
XLogP2.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide 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-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide (CID 134700861) is N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide is COc1ccccc1CNC(=O)CN1CCCN(c2ccncc2C)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is NHSBHKODEOPWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17-14-22-9-8-19(17)25-11-5-10-24(12-13-25)16-21(26)23-15-18-6-3-4-7-20(18)27-2/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 134700861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.