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

C25H20N4O2 — CID 57058023

IUPACN-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H20N4O2/c30-24(21-14-17-10-4-6-12-19(17)27-21)26-15-22-25(31)29-20-13-7-5-11-18(20)23(28-22)16-8-2-1-3-9-16/h1-14,22,27H,15H2,(H,26,30)(H,29,31)/t22-/m1/s1
InChIKeyGDVQYVMGXWEUEY-JOCHJYFZSA-N
MW408.46 g/mol
LogP3.76
Rot. Bonds4

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

N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 57058023) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID57058023
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NC[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H20N4O2/c30-24(21-14-17-10-4-6-12-19(17)27-21)26-15-22-25(31)29-20-13-7-5-11-18(20)23(28-22)16-8-2-1-3-9-16/h1-14,22,27H,15H2,(H,26,30)(H,29,31)/t22-/m1/s1
InChIKeyGDVQYVMGXWEUEY-JOCHJYFZSA-N
XLogP3.76
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)naphthalene-1-carboxamide
CID 14208215
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
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
(3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 53325290
3-methoxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]naphthalene-2-carboxamide
CID 5279187
2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
CID 5279184
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-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
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
N-[1-[(2E)-2-methoxyiminoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 14800365

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide (CID 57058023) is N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide is O=C(NC[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is GDVQYVMGXWEUEY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-24(21-14-17-10-4-6-12-19(17)27-21)26-15-22-25(31)29-20-13-7-5-11-18(20)23(28-22)16-8-2-1-3-9-16/h1-14,22,27H,15H2,(H,26,30)(H,29,31)/t22-/m1/s1.
What are the key properties of N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide?
N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 57058023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).