N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

C27H23N5O3 — CID 54393450

IUPACN-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
SMILESCON=CCN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C27H23N5O3/c1-35-28-15-16-32-23-14-8-6-12-20(23)24(18-9-3-2-4-10-18)30-25(27(32)34)31-26(33)22-17-19-11-5-7-13-21(19)29-22/h2-15,17,25,29H,16H2,1H3,(H,31,33)
InChIKeyVIGUYESRZLDMRG-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.74
Rot. Bonds6

About N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide

N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide (PubChem CID 54393450) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
PubChem CID54393450
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC NameN-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
SMILESCON=CCN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C27H23N5O3/c1-35-28-15-16-32-23-14-8-6-12-20(23)24(18-9-3-2-4-10-18)30-25(27(32)34)31-26(33)22-17-19-11-5-7-13-21(19)29-22/h2-15,17,25,29H,16H2,1H3,(H,31,33)
InChIKeyVIGUYESRZLDMRG-UHFFFAOYSA-N
XLogP3.74
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(2E)-2-methoxyiminoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 14800365
methyl (Z)-4-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]but-2-enoate
CID 67781030
N-[(3S)-2-oxo-5-phenyl-1-(2H-tetrazol-5-ylmethyl)-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 22848790
N-[(3S)-1-(furan-2-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 67781132
N-[(3S)-2-oxo-1-[(3-oxo-1,2-oxazol-5-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 67780704
5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 14800324
N-[2-oxo-5-phenyl-1-(2-pyridin-4-ylsulfanylethyl)-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 14800332
5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
CID 19018663
N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
CID 57339631
5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
CID 70002816
N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide
CID 57403161
N-[(11R)-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]-1H-indole-2-carboxamide
CID 10342086

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide (CID 54393450) is N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide is CON=CCN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is VIGUYESRZLDMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-35-28-15-16-32-23-14-8-6-12-20(23)24(18-9-3-2-4-10-18)30-25(27(32)34)31-26(33)22-17-19-11-5-7-13-21(19)29-22/h2-15,17,25,29H,16H2,1H3,(H,31,33).
What are the key properties of N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide?
N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 54393450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).