N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide

C20H24N4O2 — CID 47809870

IUPACN-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCN(C(=O)CN1CCCN(C(=O)c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-22(17-8-3-2-4-9-17)19(25)16-23-12-7-13-24(15-14-23)20(26)18-10-5-6-11-21-18/h2-6,8-11H,7,12-16H2,1H3
InChIKeyKJTJXPGYGYBBJO-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide

N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 47809870) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID47809870
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCN(C(=O)CN1CCCN(C(=O)c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-22(17-8-3-2-4-9-17)19(25)16-23-12-7-13-24(15-14-23)20(26)18-10-5-6-11-21-18/h2-6,8-11H,7,12-16H2,1H3
InChIKeyKJTJXPGYGYBBJO-UHFFFAOYSA-N
XLogP1.89
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chloroethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 63394596
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 112841348
N,N-dimethyl-2-[4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 63049420
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
CID 77011807
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[4-[3-(5-methylfuran-2-yl)butyl]-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 134706799
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
N,N-dimethyl-2-[4-(2H-triazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 112733403
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 47809870) is N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide is CN(C(=O)CN1CCCN(C(=O)c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is KJTJXPGYGYBBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22(17-8-3-2-4-9-17)19(25)16-23-12-7-13-24(15-14-23)20(26)18-10-5-6-11-21-18/h2-6,8-11H,7,12-16H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide?
N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 47809870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).