7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one

C15H21N3O3 — CID 167823776

IUPAC7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one
SMILESCC(C)c1cc(C(=O)N2CCNC(=O)CC2C)cc(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-9(2)12-7-11(8-14(20)17-12)15(21)18-5-4-16-13(19)6-10(18)3/h7-10H,4-6H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyGLAYCGXCOCYATO-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.85
Rot. Bonds2

About 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one

7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one (PubChem CID 167823776) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one
PubChem CID167823776
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one
SMILESCC(C)c1cc(C(=O)N2CCNC(=O)CC2C)cc(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-9(2)12-7-11(8-14(20)17-12)15(21)18-5-4-16-13(19)6-10(18)3/h7-10H,4-6H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyGLAYCGXCOCYATO-UHFFFAOYSA-N
XLogP0.85
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 120949756
(3S,4S)-4-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112128
methyl 7-methyl-5-oxo-1,4-diazepane-1-carboxylate
CID 131131607
4-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124885400
4-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124885404
1-(2-amino-5-methylbenzoyl)-7-methyl-1,4-diazepan-5-one;ethane-1,2-diimine
CID 145012522
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776148
4-[(3S)-3-methylpiperazin-1-yl]-6-propan-2-yl-1H-pyridin-2-one
CID 166036192
5-[2-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-2-azabicyclo[2.1.1]hexan-5-yl]-1,3-oxazole-4-carboxamide
CID 146114921
4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 103440801
6-(2-methylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 55104387
1-[(4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl]-7-methyl-1,4-diazepan-5-one
CID 166214877

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one (CID 167823776) is 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one is CC(C)c1cc(C(=O)N2CCNC(=O)CC2C)cc(=O)[nH]1.
What is the InChIKey of 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one?
The InChIKey is GLAYCGXCOCYATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(2)12-7-11(8-14(20)17-12)15(21)18-5-4-16-13(19)6-10(18)3/h7-10H,4-6H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one?
7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one has a molecular weight of 291.35 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 167823776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).