3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

C13H19N3O — CID 107475304

IUPAC3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCC(C)(C)CC1CNc2ncccc2NC1=O
InChIInChI=1S/C13H19N3O/c1-13(2,3)7-9-8-15-11-10(16-12(9)17)5-4-6-14-11/h4-6,9H,7-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyLBLKKOHVUSOBPW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.50
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one

3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (PubChem CID 107475304) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
PubChem CID107475304
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
SMILESCC(C)(C)CC1CNc2ncccc2NC1=O
InChIInChI=1S/C13H19N3O/c1-13(2,3)7-9-8-15-11-10(16-12(9)17)5-4-6-14-11/h4-6,9H,7-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyLBLKKOHVUSOBPW-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-2-pyridinyl)methyl]-5-(2,2-dimethylpropyl)-1,3-diazinane-2,4-dione
CID 167779067
3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 81136874
(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 82396244
(3R)-3-(aminomethyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one;benzene
CID 176990310
7-methoxy-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 115323583
7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 81136963
3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
CID 106110896
5-(2,2-dimethylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 167952924
3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70673555
7-(hydroxymethyl)-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 23157087
7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 79294837
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one (CID 107475304) is 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is CC(C)(C)CC1CNc2ncccc2NC1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
The InChIKey is LBLKKOHVUSOBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)7-9-8-15-11-10(16-12(9)17)5-4-6-14-11/h4-6,9H,7-8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one?
3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one is sourced from PubChem (CID 107475304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).