N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide

C20H17N3O3 — CID 98182970

IUPACN-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide
SMILESO=C1C[C@H](Cc2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)C(=O)N1
InChIInChI=1S/C20H17N3O3/c24-18-11-15(20(26)23-18)9-12-1-5-16(6-2-12)22-19(25)14-4-3-13-7-8-21-17(13)10-14/h1-8,10,15,21H,9,11H2,(H,22,25)(H,23,24,26)/t15-/m0/s1
InChIKeyYAAWXLDHMBXXMK-HNNXBMFYSA-N
MW347.37 g/mol
LogP2.63
Rot. Bonds4

About N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide

N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide (PubChem CID 98182970) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide
PubChem CID98182970
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide
SMILESO=C1C[C@H](Cc2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)C(=O)N1
InChIInChI=1S/C20H17N3O3/c24-18-11-15(20(26)23-18)9-12-1-5-16(6-2-12)22-19(25)14-4-3-13-7-8-21-17(13)10-14/h1-8,10,15,21H,9,11H2,(H,22,25)(H,23,24,26)/t15-/m0/s1
InChIKeyYAAWXLDHMBXXMK-HNNXBMFYSA-N
XLogP2.63
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 98518315
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 96507817
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]indolizine-2-carboxamide
CID 98201350
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide
CID 56794258
tert-butyl 4-(1H-indole-6-carbonylamino)benzoate
CID 68698623
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate
CID 166212951
N-(2H-benzotriazol-5-yl)-1H-indole-6-carboxamide
CID 71918413
3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
CID 75495645
2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide
CID 120794532
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-methylpentanamide
CID 119798822
N-[3-(dimethylcarbamoylamino)phenyl]-1H-indole-6-carboxamide
CID 167796814

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide (CID 98182970) is N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide is O=C1C[C@H](Cc2ccc(NC(=O)c3ccc4cc[nH]c4c3)cc2)C(=O)N1.
What is the InChIKey of N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide?
The InChIKey is YAAWXLDHMBXXMK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-18-11-15(20(26)23-18)9-12-1-5-16(6-2-12)22-19(25)14-4-3-13-7-8-21-17(13)10-14/h1-8,10,15,21H,9,11H2,(H,22,25)(H,23,24,26)/t15-/m0/s1.
What are the key properties of N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide?
N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 98182970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).