5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide

C25H20N4O3 — CID 19018663

IUPAC5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc3cc(O)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H20N4O3/c1-29-21-10-6-5-9-18(21)22(15-7-3-2-4-8-15)27-23(25(29)32)28-24(31)20-14-16-13-17(30)11-12-19(16)26-20/h2-14,23,26,30H,1H3,(H,28,31)
InChIKeyDCPSXBISXNNKED-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.44
Rot. Bonds3

About 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide

5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide (PubChem CID 19018663) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
PubChem CID19018663
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc3cc(O)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C25H20N4O3/c1-29-21-10-6-5-9-18(21)22(15-7-3-2-4-8-15)27-23(25(29)32)28-24(31)20-14-16-13-17(30)11-12-19(16)26-20/h2-14,23,26,30H,1H3,(H,28,31)
InChIKeyDCPSXBISXNNKED-UHFFFAOYSA-N
XLogP3.44
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

5-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
CID 70002816
N-(7-fluoro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide
CID 57339631
5-methoxy-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 14800324
N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 10499323
2-chloro-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzamide
CID 14208250
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-[1-(2-methoxyiminoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 54393450
N-[1-[(2E)-2-methoxyiminoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
CID 14800365
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
4-chloro-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]benzamide
CID 14208244
methyl (Z)-4-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]but-2-enoate
CID 67781030

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide (CID 19018663) is 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide is CN1C(=O)C(NC(=O)c2cc3cc(O)ccc3[nH]2)N=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is DCPSXBISXNNKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-29-21-10-6-5-9-18(21)22(15-7-3-2-4-8-15)27-23(25(29)32)28-24(31)20-14-16-13-17(30)11-12-19(16)26-20/h2-14,23,26,30H,1H3,(H,28,31).
What are the key properties of 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide?
5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 19018663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).