N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide

C18H19N5O3 — CID 42927673

IUPACN-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cnccn1
InChIInChI=1S/C18H19N5O3/c1-12-9-16(24)21-13-5-3-4-6-15(13)23(12)17(25)11-22(2)18(26)14-10-19-7-8-20-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,24)
InChIKeyCXCJVDNPERKQMK-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.31
Rot. Bonds3

About N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide

N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 42927673) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID42927673
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cnccn1
InChIInChI=1S/C18H19N5O3/c1-12-9-16(24)21-13-5-3-4-6-15(13)23(12)17(25)11-22(2)18(26)14-10-19-7-8-20-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,24)
InChIKeyCXCJVDNPERKQMK-UHFFFAOYSA-N
XLogP1.31
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 42281324
4-methyl-5-(pyrazine-2-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 71943192
4-iodo-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]benzamide
CID 42281330
N,3-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzamide
CID 42927689
3-chloro-N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]benzamide
CID 40856134
N-methyl-N-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]-4-propoxybenzamide
CID 42281317
N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-4-nitrobenzamide
CID 42927668
5-[2-[2-hydroxyethyl(methyl)amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 56809358
4-methyl-5-[2-[methyl-(4-methyl-2-pyridinyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 154736410
N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 42927653
2-(4-fluorophenoxy)-N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]acetamide
CID 17406803
6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 17395036

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide (CID 42927673) is N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide is CC1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cnccn1.
What is the InChIKey of N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is CXCJVDNPERKQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-9-16(24)21-13-5-3-4-6-15(13)23(12)17(25)11-22(2)18(26)14-10-19-7-8-20-14/h3-8,10,12H,9,11H2,1-2H3,(H,21,24).
What are the key properties of N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide?
N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42927673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).