1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

C15H22N4O2 — CID 120830743

IUPAC1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
SMILESCNC(C)CNC(=O)c1ccc2c(c1)NC(=O)CCN2C
InChIInChI=1S/C15H22N4O2/c1-10(16-2)9-17-15(21)11-4-5-13-12(8-11)18-14(20)6-7-19(13)3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeySLDIZCCVHQNWTJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.80
Rot. Bonds4

About 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide (PubChem CID 120830743) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
PubChem CID120830743
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
SMILESCNC(C)CNC(=O)c1ccc2c(c1)NC(=O)CCN2C
InChIInChI=1S/C15H22N4O2/c1-10(16-2)9-17-15(21)11-4-5-13-12(8-11)18-14(20)6-7-19(13)3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeySLDIZCCVHQNWTJ-UHFFFAOYSA-N
XLogP0.80
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119407918
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 136511531
N-[2-(cycloheptylamino)ethyl]-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119620864
N-(1-amino-2-methylpropan-2-yl)-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119524136
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 154858863
(2S)-2-[(1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl)amino]hexanoic acid
CID 120615691
2-[methyl-(1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl)amino]acetic acid
CID 119346700
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
N-(1-amino-2-cyclopropylpropan-2-yl)-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride
CID 119575005
1-methyl-7-(4-propylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 126770699
1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 122137446
7-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one;dihydrochloride
CID 119647314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The IUPAC name of 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide (CID 120830743) is 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide is CNC(C)CNC(=O)c1ccc2c(c1)NC(=O)CCN2C.
What is the InChIKey of 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The InChIKey is SLDIZCCVHQNWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(16-2)9-17-15(21)11-4-5-13-12(8-11)18-14(20)6-7-19(13)3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide is sourced from PubChem (CID 120830743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).