5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid

C20H21N5O4 — CID 71462593

IUPAC5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1
InChIInChI=1S/C20H21N5O4/c1-25(2)15-6-3-13(4-7-15)23-20(29)21-11-18(26)22-14-5-8-16-12(9-14)10-17(24-16)19(27)28/h3-10,24H,11H2,1-2H3,(H,22,26)(H,27,28)(H2,21,23,29)
InChIKeyBNGFTKWOLOLBGI-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.69
Rot. Bonds6

About 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid

5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid (PubChem CID 71462593) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
PubChem CID71462593
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid
SMILESCN(C)c1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1
InChIInChI=1S/C20H21N5O4/c1-25(2)15-6-3-13(4-7-15)23-20(29)21-11-18(26)22-14-5-8-16-12(9-14)10-17(24-16)19(27)28/h3-10,24H,11H2,1-2H3,(H,22,26)(H,27,28)(H2,21,23,29)
InChIKeyBNGFTKWOLOLBGI-UHFFFAOYSA-N
XLogP2.69
TPSA126.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-1H-indole-2-carboxylic acid
CID 3163396
3-phenyl-1H-indole-2-carboxylic acid
CID 2763657
2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoic acid
CID 44215880
(2R)-2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-4-phenylbutanoic acid
CID 53465844
2-(2-(1H-indole-2-carboxamido)benzamido)-3-phenylpropanoic acid
CID 10071178
(R)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-phenylpropanoic acid
CID 10342469
2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
CID 14208228
CCK antagonist synthetic 20
CID 14208232
4-{[5-(3,3-Dimethyl-butyrylamino)-1-(2-fluoro-benzyl)-1H-indole-2-carbonyl]-amino}-benzoic acid
CID 22144657
3-(2-carboxyethyl)-6-phenyl-1H-indole-2-carboxylic acid
CID 71280862
Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-
CID 12904
6-ethyl-1H-indole-2-carboxylic acid
CID 4285736

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid (CID 71462593) is 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid is CN(C)c1ccc(NC(=O)NCC(=O)Nc2ccc3[nH]c(C(=O)O)cc3c2)cc1.
What is the InChIKey of 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid?
The InChIKey is BNGFTKWOLOLBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-25(2)15-6-3-13(4-7-15)23-20(29)21-11-18(26)22-14-5-8-16-12(9-14)10-17(24-16)19(27)28/h3-10,24H,11H2,1-2H3,(H,22,26)(H,27,28)(H2,21,23,29).
What are the key properties of 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid?
5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid has a molecular weight of 395.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[4-(dimethylamino)phenyl]carbamoylamino]acetyl]amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 71462593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).