N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide

C18H28N4O3 — CID 55641912

IUPACN,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C18H28N4O3/c1-4-21(5-2)17(24)14-20-8-6-9-22(12-11-20)18(25)15-7-10-19(3)16(23)13-15/h7,10,13H,4-6,8-9,11-12,14H2,1-3H3
InChIKeyFZSRJMDIDLZNME-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.40
Rot. Bonds5

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

N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 55641912) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID55641912
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C18H28N4O3/c1-4-21(5-2)17(24)14-20-8-6-9-22(12-11-20)18(25)15-7-10-19(3)16(23)13-15/h7,10,13H,4-6,8-9,11-12,14H2,1-3H3
InChIKeyFZSRJMDIDLZNME-UHFFFAOYSA-N
XLogP0.40
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(Dimethylamino)ethyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 75460696
5-{[[2-(1-azepanyl)-2-oxoethyl](methyl)amino]methyl}-1-ethyl-2(1H)-pyridinone
CID 53191754
4-({[2-(Azepan-1-YL)-2-oxoethyl](methyl)amino}methyl)-1-methyl-1,2-dihydropyridin-2-one
CID 53191783
N-ethyl-N-(2-methylprop-2-enyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 53512781
1-[2-(4-Methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 39958651
1-[2-(4-Acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 51075308
N,N-diethyl-2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide
CID 55603011
N,N-dimethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide
CID 55641951
N,N-dimethyl-2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide
CID 55642107
N,N-diethyl-2-[4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazepan-1-yl]acetamide
CID 55642163
1-[2-Oxo-2-(4-propyl-1,4-diazepan-1-yl)ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 56822444
3-Methyl-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 132290214

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 55641912) is N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide is CCN(CC)C(=O)CN1CCCN(C(=O)c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is FZSRJMDIDLZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-21(5-2)17(24)14-20-8-6-9-22(12-11-20)18(25)15-7-10-19(3)16(23)13-15/h7,10,13H,4-6,8-9,11-12,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide?
N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(1-methyl-2-oxopyridine-4-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 55641912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).