1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one

C20H24N4O2 — CID 56863207

IUPAC1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
SMILESCCC1CN(C(=O)c2cc(N)ccn2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H24N4O2/c1-2-17-14-23(20(26)18-12-16(21)8-10-22-18)11-9-19(25)24(17)13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H2,21,22)
InChIKeySLUDCAKISINYMU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.32
Rot. Bonds4

About 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one

1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one (PubChem CID 56863207) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
PubChem CID56863207
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
SMILESCCC1CN(C(=O)c2cc(N)ccn2)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H24N4O2/c1-2-17-14-23(20(26)18-12-16(21)8-10-22-18)11-9-19(25)24(17)13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H2,21,22)
InChIKeySLUDCAKISINYMU-UHFFFAOYSA-N
XLogP2.32
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzyl-1-(2-chloropyridine-4-carbonyl)-3-ethyl-1,4-diazepan-5-one
CID 95550865
(3S)-4-benzyl-3-ethyl-1-(2-propylpyridine-4-carbonyl)-1,4-diazepan-5-one
CID 95559831
(3R)-4-benzyl-3-ethyl-1-(1-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 95502161
4-benzyl-3-ethyl-1-(quinoline-2-carbonyl)-1,4-diazepan-5-one
CID 56877971
(3R)-4-benzyl-3-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepan-5-one
CID 95559121
(3S)-4-benzyl-3-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepan-5-one
CID 95559122
4-benzyl-3-ethyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 56863506
(3R)-4-benzyl-3-ethyl-1-(2-ethylpyrimidine-5-carbonyl)-1,4-diazepan-5-one
CID 95551067
4-benzyl-3-ethyl-1-(1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
CID 56874335
(3S)-4-benzyl-3-ethyl-1-(3-methyl-1,2-oxazole-5-carbonyl)-1,4-diazepan-5-one
CID 95435607
4-benzyl-3-ethyl-1-(quinoline-8-carbonyl)-1,4-diazepan-5-one
CID 56881216
(3R)-4-benzyl-1-(3,5-difluoropyridine-2-carbonyl)-3-ethyl-1,4-diazepan-5-one
CID 95558637

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one?
The IUPAC name of 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one (CID 56863207) is 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one?
The canonical SMILES for 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one is CCC1CN(C(=O)c2cc(N)ccn2)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one?
The InChIKey is SLUDCAKISINYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-17-14-23(20(26)18-12-16(21)8-10-22-18)11-9-19(25)24(17)13-15-6-4-3-5-7-15/h3-8,10,12,17H,2,9,11,13-14H2,1H3,(H2,21,22).
What are the key properties of 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one?
1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one has a molecular weight of 352.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one is sourced from PubChem (CID 56863207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).