N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide

C16H21N3O2 — CID 137499276

IUPACN-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
SMILESCC1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1
InChIInChI=1S/C16H21N3O2/c1-10-8-15(20)19-14-9-12(4-5-13(14)18-10)16(21)17-7-6-11-2-3-11/h4-5,9-11,18H,2-3,6-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyPZIZPJAJSJUGEG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.36
Rot. Bonds4

About N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide

N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide (PubChem CID 137499276) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
PubChem CID137499276
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
SMILESCC1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1
InChIInChI=1S/C16H21N3O2/c1-10-8-15(20)19-14-9-12(4-5-13(14)18-10)16(21)17-7-6-11-2-3-11/h4-5,9-11,18H,2-3,6-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyPZIZPJAJSJUGEG-UHFFFAOYSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712046
(2S)-N-(2-cyclopropylethyl)-2-methyl-4-oxo-1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 137499325
tert-butyl 4-[(2S)-7-(2-cyclopropylethylcarbamoyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-1-carbonyl]piperazine-1-carboxylate
CID 149242317
(2S)-7-N-(2-cyclopropylethyl)-1-N-(1-ethylpiperidin-4-yl)-1-N,2-dimethyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-1,7-dicarboxamide
CID 142529073
2-oxo-N-(2-pyrrolidin-3-ylethyl)-1,3-dihydroindole-5-carboxamide
CID 102711522
7-ethyl-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 84620283
N-(3-cyclopentylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737359
N-(2-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104628967
3-oxo-N-(2-pyrrolidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119533362
(E)-3-[5-(2-cyclopropylethylcarbamoyl)-2-methylphenyl]prop-2-enoic acid
CID 81488602
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 119554967
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 119555122

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide (CID 137499276) is N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide is CC1CC(=O)Nc2cc(C(=O)NCCC3CC3)ccc2N1.
What is the InChIKey of N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
The InChIKey is PZIZPJAJSJUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-8-15(20)19-14-9-12(4-5-13(14)18-10)16(21)17-7-6-11-2-3-11/h4-5,9-11,18H,2-3,6-8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide?
N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide is sourced from PubChem (CID 137499276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).