3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide

C20H18N4O3 — CID 90489222

IUPAC3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide
SMILESO=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C20H18N4O3/c25-18(22-13-5-6-15-12(11-13)9-10-21-15)8-7-17-20(27)23-16-4-2-1-3-14(16)19(26)24-17/h1-6,9-11,17,21H,7-8H2,(H,22,25)(H,23,27)(H,24,26)/t17-/m1/s1
InChIKeyLSFSXNAOVPCIOR-QGZVFWFLSA-N
MW362.39 g/mol
LogP2.64
Rot. Bonds4

About 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide

3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide (PubChem CID 90489222) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide.

Molecular Properties

Compound Name3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide
PubChem CID90489222
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide
SMILESO=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C20H18N4O3/c25-18(22-13-5-6-15-12(11-13)9-10-21-15)8-7-17-20(27)23-16-4-2-1-3-14(16)19(26)24-17/h1-6,9-11,17,21H,7-8H2,(H,22,25)(H,23,27)(H,24,26)/t17-/m1/s1
InChIKeyLSFSXNAOVPCIOR-QGZVFWFLSA-N
XLogP2.64
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide?
The IUPAC name of 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide (CID 90489222) is 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide.
What is the SMILES notation for 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide?
The canonical SMILES for 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide is O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide?
The InChIKey is LSFSXNAOVPCIOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-18(22-13-5-6-15-12(11-13)9-10-21-15)8-7-17-20(27)23-16-4-2-1-3-14(16)19(26)24-17/h1-6,9-11,17,21H,7-8H2,(H,22,25)(H,23,27)(H,24,26)/t17-/m1/s1.
What are the key properties of 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide?
3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide has a molecular weight of 362.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 90489222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).