6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide

C16H15N5O2 — CID 59189917

IUPAC6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3cccc(N)c3)ccc2c1C(N)=O
InChIInChI=1S/C16H15N5O2/c17-10-3-1-2-8(6-10)9-4-5-11-12(7-9)20-15(21-16(19)23)13(11)14(18)22/h1-7,20H,17H2,(H2,18,22)(H3,19,21,23)
InChIKeyNBPICAWZPBYCSB-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.01
Rot. Bonds3

About 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide

6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide (PubChem CID 59189917) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
PubChem CID59189917
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3cccc(N)c3)ccc2c1C(N)=O
InChIInChI=1S/C16H15N5O2/c17-10-3-1-2-8(6-10)9-4-5-11-12(7-9)20-15(21-16(19)23)13(11)14(18)22/h1-7,20H,17H2,(H2,18,22)(H3,19,21,23)
InChIKeyNBPICAWZPBYCSB-UHFFFAOYSA-N
XLogP2.01
TPSA140.02 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The IUPAC name of 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide (CID 59189917) is 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The canonical SMILES for 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(-c3cccc(N)c3)ccc2c1C(N)=O.
What is the InChIKey of 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The InChIKey is NBPICAWZPBYCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-10-3-1-2-8(6-10)9-4-5-11-12(7-9)20-15(21-16(19)23)13(11)14(18)22/h1-7,20H,17H2,(H2,18,22)(H3,19,21,23).
What are the key properties of 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 59189917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).