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

C18H19N5O2 — CID 59189862

IUPAC2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)c1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C18H19N5O2/c1-23(2)12-5-3-4-10(8-12)11-6-7-13-14(9-11)21-17(22-18(20)25)15(13)16(19)24/h3-9,21H,1-2H3,(H2,19,24)(H3,20,22,25)
InChIKeyICIIEGWNNRDDPU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.49
Rot. Bonds4

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

2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide (PubChem CID 59189862) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
PubChem CID59189862
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)c1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C18H19N5O2/c1-23(2)12-5-3-4-10(8-12)11-6-7-13-14(9-11)21-17(22-18(20)25)15(13)16(19)24/h3-9,21H,1-2H3,(H2,19,24)(H3,20,22,25)
InChIKeyICIIEGWNNRDDPU-UHFFFAOYSA-N
XLogP2.49
TPSA117.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide (CID 59189862) is 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide is CN(C)c1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1.
What is the InChIKey of 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The InChIKey is ICIIEGWNNRDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23(2)12-5-3-4-10(8-12)11-6-7-13-14(9-11)21-17(22-18(20)25)15(13)16(19)24/h3-9,21H,1-2H3,(H2,19,24)(H3,20,22,25).
What are the key properties of 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 59189862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).