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

C27H28N6O — CID 14983883

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2[nH]c3ccccc3c2/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H28N6O/c1-32(2)21-13-9-19(10-14-21)17-28-25-23-7-5-6-8-24(23)30-26(25)27(34)31-29-18-20-11-15-22(16-12-20)33(3)4/h5-18,30H,1-4H3,(H,31,34)/b28-17+,29-18+
InChIKeyKHXAKMWTDUHSNM-POAOKBCDSA-N
MW452.56 g/mol
LogP4.81
Rot. Bonds7

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

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide (PubChem CID 14983883) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
PubChem CID14983883
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2[nH]c3ccccc3c2/N=C/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C27H28N6O/c1-32(2)21-13-9-19(10-14-21)17-28-25-23-7-5-6-8-24(23)30-26(25)27(34)31-29-18-20-11-15-22(16-12-20)33(3)4/h5-18,30H,1-4H3,(H,31,34)/b28-17+,29-18+
InChIKeyKHXAKMWTDUHSNM-POAOKBCDSA-N
XLogP4.81
TPSA76.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
4-[[2-[[(E)-(4-carboxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]iminomethyl]benzoic acid
CID 14983887
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 5347000
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 10200017
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methylthiophene-2-carboxamide
CID 5412074
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 4250673
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide (CID 14983883) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide is CN(C)c1ccc(/C=N/NC(=O)c2[nH]c3ccccc3c2/N=C/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is KHXAKMWTDUHSNM-POAOKBCDSA-N. The full InChI is InChI=1S/C27H28N6O/c1-32(2)21-13-9-19(10-14-21)17-28-25-23-7-5-6-8-24(23)30-26(25)27(34)31-29-18-20-11-15-22(16-12-20)33(3)4/h5-18,30H,1-4H3,(H,31,34)/b28-17+,29-18+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 14983883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).