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

C18H19N5O — CID 14983896

IUPAC3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2[nH]c3ccccc3c2N)cc1
InChIInChI=1S/C18H19N5O/c1-23(2)13-9-7-12(8-10-13)11-20-22-18(24)17-16(19)14-5-3-4-6-15(14)21-17/h3-11,21H,19H2,1-2H3,(H,22,24)/b20-11+
InChIKeyFPENWBGHSHVYLI-RGVLZGJSSA-N
MW321.38 g/mol
LogP2.58
Rot. Bonds4

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

3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide (PubChem CID 14983896) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
PubChem CID14983896
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2[nH]c3ccccc3c2N)cc1
InChIInChI=1S/C18H19N5O/c1-23(2)13-9-7-12(8-10-13)11-20-22-18(24)17-16(19)14-5-3-4-6-15(14)21-17/h3-11,21H,19H2,1-2H3,(H,22,24)/b20-11+
InChIKeyFPENWBGHSHVYLI-RGVLZGJSSA-N
XLogP2.58
TPSA86.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983883
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
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
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
4-[[2-[[(E)-(4-carboxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]iminomethyl]benzoic acid
CID 14983887

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide (CID 14983896) is 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide is CN(C)c1ccc(/C=N/NC(=O)c2[nH]c3ccccc3c2N)cc1.
What is the InChIKey of 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is FPENWBGHSHVYLI-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19N5O/c1-23(2)13-9-7-12(8-10-13)11-20-22-18(24)17-16(19)14-5-3-4-6-15(14)21-17/h3-11,21H,19H2,1-2H3,(H,22,24)/b20-11+.
What are the key properties of 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide?
3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 14983896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).