N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide

C20H20N4O — CID 135818917

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20N4O/c25-20(15-7-9-17(10-8-15)24-11-3-4-12-24)23-22-14-16-13-21-19-6-2-1-5-18(16)19/h1-2,5-10,13-14,21H,3-4,11-12H2,(H,23,25)/b22-14+
InChIKeyXUNCRJZRMPCSMV-HYARGMPZSA-N
MW332.41 g/mol
LogP3.53
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide

N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide (PubChem CID 135818917) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
PubChem CID135818917
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20N4O/c25-20(15-7-9-17(10-8-15)24-11-3-4-12-24)23-22-14-16-13-21-19-6-2-1-5-18(16)19/h1-2,5-10,13-14,21H,3-4,11-12H2,(H,23,25)/b22-14+
InChIKeyXUNCRJZRMPCSMV-HYARGMPZSA-N
XLogP3.53
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3484834
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
CID 154480630
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(E)-1H-indol-3-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 136732980
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide (CID 135818917) is N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is XUNCRJZRMPCSMV-HYARGMPZSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(15-7-9-17(10-8-15)24-11-3-4-12-24)23-22-14-16-13-21-19-6-2-1-5-18(16)19/h1-2,5-10,13-14,21H,3-4,11-12H2,(H,23,25)/b22-14+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 332.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 135818917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).