3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide

C26H24N4O — CID 10272869

IUPAC3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(N2CCCC2)cc1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H24N4O/c31-26(29-27-18-19-12-14-21(15-13-19)30-16-6-7-17-30)25-24(20-8-2-1-3-9-20)22-10-4-5-11-23(22)28-25/h1-5,8-15,18,28H,6-7,16-17H2,(H,29,31)/b27-18+
InChIKeyNBXTXHJWSMTTKO-OVVQPSECSA-N
MW408.51 g/mol
LogP5.20
Rot. Bonds5

About 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide

3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 10272869) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID10272869
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(N2CCCC2)cc1)c1[nH]c2ccccc2c1-c1ccccc1
InChIInChI=1S/C26H24N4O/c31-26(29-27-18-19-12-14-21(15-13-19)30-16-6-7-17-30)25-24(20-8-2-1-3-9-20)22-10-4-5-11-23(22)28-25/h1-5,8-15,18,28H,6-7,16-17H2,(H,29,31)/b27-18+
InChIKeyNBXTXHJWSMTTKO-OVVQPSECSA-N
XLogP5.20
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.20
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-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135517136
N-[(E)-1H-imidazol-2-ylmethylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135418261
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70119777
2-[5-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]propanoic acid
CID 91078245
[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 126401311
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide (CID 10272869) is 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide is O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1[nH]c2ccccc2c1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is NBXTXHJWSMTTKO-OVVQPSECSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26(29-27-18-19-12-14-21(15-13-19)30-16-6-7-17-30)25-24(20-8-2-1-3-9-20)22-10-4-5-11-23(22)28-25/h1-5,8-15,18,28H,6-7,16-17H2,(H,29,31)/b27-18+.
What are the key properties of 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide?
3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 10272869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).