N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

C22H23N5O2 — CID 2321196

IUPACN-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC1=NCCC1)c1ccccc1
InChIInChI=1S/C22H23N5O2/c28-21(15-7-2-1-3-8-15)25-19(22(29)27-26-20-11-6-12-23-20)13-16-14-24-18-10-5-4-9-17(16)18/h1-5,7-10,14,19,24H,6,11-13H2,(H,23,26)(H,25,28)(H,27,29)/t19-/m1/s1
InChIKeySOPOWVPLJYPCHW-LJQANCHMSA-N
MW389.46 g/mol
LogP2.32
Rot. Bonds5

About N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide

N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide (PubChem CID 2321196) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
PubChem CID2321196
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC1=NCCC1)c1ccccc1
InChIInChI=1S/C22H23N5O2/c28-21(15-7-2-1-3-8-15)25-19(22(29)27-26-20-11-6-12-23-20)13-16-14-24-18-10-5-4-9-17(16)18/h1-5,7-10,14,19,24H,6,11-13H2,(H,23,26)(H,25,28)(H,27,29)/t19-/m1/s1
InChIKeySOPOWVPLJYPCHW-LJQANCHMSA-N
XLogP2.32
TPSA98.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3559323
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
(2-chlorophenyl)methyl 2-benzamido-3-(1H-indol-3-yl)propanoate
CID 19003113
N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide
CID 162669558
N-[(2S)-1-[cyano(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 87849413
N-[(2S)-1-(cyclopropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 110286344
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 110286567
N-[(2S)-1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 26001788
N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide
CID 582713
4-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 25352827
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide (CID 2321196) is N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC1=NCCC1)c1ccccc1.
What is the InChIKey of N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
The InChIKey is SOPOWVPLJYPCHW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(15-7-2-1-3-8-15)25-19(22(29)27-26-20-11-6-12-23-20)13-16-14-24-18-10-5-4-9-17(16)18/h1-5,7-10,14,19,24H,6,11-13H2,(H,23,26)(H,25,28)(H,27,29)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide?
N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 2321196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).