3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one

C19H23N3O2 — CID 95635367

IUPAC3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C19H23N3O2/c1-15-13-21(14-16-7-3-2-4-8-16)11-6-12-22(15)19(24)17-9-5-10-20-18(17)23/h2-5,7-10,15H,6,11-14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyYOCADTJDQUIZSL-OAHLLOKOSA-N
MW325.41 g/mol
LogP2.11
Rot. Bonds3

About 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one

3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95635367) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
PubChem CID95635367
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C19H23N3O2/c1-15-13-21(14-16-7-3-2-4-8-16)11-6-12-22(15)19(24)17-9-5-10-20-18(17)23/h2-5,7-10,15H,6,11-14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyYOCADTJDQUIZSL-OAHLLOKOSA-N
XLogP2.11
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95635280
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
[(2R)-4-benzyl-2-methyl-1,4-diazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 100647026
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-2-oxo-N-phenylacetamide
CID 75467745
(4-benzyl-2-methyl-1,4-diazepan-1-yl)-[5-(hydroxymethyl)furan-3-yl]methanone
CID 126824447
5-(4-benzyl-2-methyl-1,4-diazepane-1-carbonyl)thiophene-3-carboxamide
CID 136527442
6-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 136580423
4-benzyl-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,4-diazepane-1-carboxamide
CID 136527494
4-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-3-methyl-4-oxobutanenitrile
CID 126826712
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)acetic acid
CID 119137919
(3R)-4-benzyl-3-ethyl-1-(2-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-5-one
CID 95559006

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one (CID 95635367) is 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one is C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is YOCADTJDQUIZSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-13-21(14-16-7-3-2-4-8-16)11-6-12-22(15)19(24)17-9-5-10-20-18(17)23/h2-5,7-10,15H,6,11-14H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one?
3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-benzyl-2-methyl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95635367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).