1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one

C20H23N3O3 — CID 172655296

IUPAC1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)CC1
InChIInChI=1S/C20H23N3O3/c1-14-8-12-23(15(2)16-6-4-3-5-7-16)20(26)18(14)19(25)22-11-9-17(24)21-10-13-22/h3-8,12,15H,9-11,13H2,1-2H3,(H,21,24)
InChIKeyTZNRBTRIYODJMH-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.73
Rot. Bonds3

About 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one

1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one (PubChem CID 172655296) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one
PubChem CID172655296
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)CC1
InChIInChI=1S/C20H23N3O3/c1-14-8-12-23(15(2)16-6-4-3-5-7-16)20(26)18(14)19(25)22-11-9-17(24)21-10-13-22/h3-8,12,15H,9-11,13H2,1-2H3,(H,21,24)
InChIKeyTZNRBTRIYODJMH-UHFFFAOYSA-N
XLogP1.73
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one
CID 172662740
2-methyl-7-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 172660337
4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one
CID 172657157
4-methyl-1-(1-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]pyridin-2-one
CID 172664690
1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carbonyl]-1,4-diazepan-5-one
CID 95589832
3-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-4-methyl-1-(1-phenylethyl)pyridin-2-one
CID 172660398
4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one
CID 172655218
N-(3,3-difluorocyclobutyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172665102
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172659116
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172658398
1-(1-benzhydryltriazole-4-carbonyl)-1,4-diazepan-5-one
CID 56887587
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one (CID 172655296) is 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCNC(=O)CC1.
What is the InChIKey of 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one?
The InChIKey is TZNRBTRIYODJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-8-12-23(15(2)16-6-4-3-5-7-16)20(26)18(14)19(25)22-11-9-17(24)21-10-13-22/h3-8,12,15H,9-11,13H2,1-2H3,(H,21,24).
What are the key properties of 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one?
1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one has a molecular weight of 353.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-1,4-diazepan-5-one is sourced from PubChem (CID 172655296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).