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

C20H23N5O3 — CID 59189843

IUPAC2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide
SMILESCOCCNCc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C20H23N5O3/c1-28-8-7-23-11-12-3-2-4-13(9-12)14-5-6-15-16(10-14)24-19(25-20(22)27)17(15)18(21)26/h2-6,9-10,23-24H,7-8,11H2,1H3,(H2,21,26)(H3,22,25,27)
InChIKeyDIKRBSWOOWSTNO-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.16
Rot. Bonds8

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

2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide (PubChem CID 59189843) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide
PubChem CID59189843
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide
SMILESCOCCNCc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C20H23N5O3/c1-28-8-7-23-11-12-3-2-4-13(9-12)14-5-6-15-16(10-14)24-19(25-20(22)27)17(15)18(21)26/h2-6,9-10,23-24H,7-8,11H2,1H3,(H2,21,26)(H3,22,25,27)
InChIKeyDIKRBSWOOWSTNO-UHFFFAOYSA-N
XLogP2.16
TPSA135.26 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate
CID 59189839
2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 24988330
6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide
CID 143724224
2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
CID 59189887
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189816
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 59189862
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide
CID 143724235
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide
CID 59189919
6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride
CID 68552530

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide (CID 59189843) is 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide is COCCNCc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1.
What is the InChIKey of 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide?
The InChIKey is DIKRBSWOOWSTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-28-8-7-23-11-12-3-2-4-13(9-12)14-5-6-15-16(10-14)24-19(25-20(22)27)17(15)18(21)26/h2-6,9-10,23-24H,7-8,11H2,1H3,(H2,21,26)(H3,22,25,27).
What are the key properties of 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[3-[(2-methoxyethylamino)methyl]phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 59189843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).