2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide

C17H18N6O2 — CID 59189854

IUPAC2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
SMILESCN(C)c1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)cn1
InChIInChI=1S/C17H18N6O2/c1-23(2)13-6-4-10(8-20-13)9-3-5-11-12(7-9)21-16(22-17(19)25)14(11)15(18)24/h3-8,21H,1-2H3,(H2,18,24)(H3,19,22,25)
InChIKeyQRQOVMFOOGTVMK-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.89
Rot. Bonds4

About 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide

2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide (PubChem CID 59189854) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
PubChem CID59189854
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
SMILESCN(C)c1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)cn1
InChIInChI=1S/C17H18N6O2/c1-23(2)13-6-4-10(8-20-13)9-3-5-11-12(7-9)21-16(22-17(19)25)14(11)15(18)24/h3-8,21H,1-2H3,(H2,18,24)(H3,19,22,25)
InChIKeyQRQOVMFOOGTVMK-UHFFFAOYSA-N
XLogP1.89
TPSA130.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide (CID 59189854) is 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide is CN(C)c1ccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)cn1.
What is the InChIKey of 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide?
The InChIKey is QRQOVMFOOGTVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-23(2)13-6-4-10(8-20-13)9-3-5-11-12(7-9)21-16(22-17(19)25)14(11)15(18)24/h3-8,21H,1-2H3,(H2,18,24)(H3,19,22,25).
What are the key properties of 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 59189854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).