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

C18H17N5O3 — CID 59189816

IUPAC6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C18H17N5O3/c1-9(24)21-12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-17(23-18(20)26)15(13)16(19)25/h2-8,22H,1H3,(H2,19,25)(H,21,24)(H3,20,23,26)
InChIKeyDLNOOQMZGUNMDL-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.38
Rot. Bonds4

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

6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide (PubChem CID 59189816) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
PubChem CID59189816
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C18H17N5O3/c1-9(24)21-12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-17(23-18(20)26)15(13)16(19)25/h2-8,22H,1H3,(H2,19,25)(H,21,24)(H3,20,23,26)
InChIKeyDLNOOQMZGUNMDL-UHFFFAOYSA-N
XLogP2.38
TPSA143.10 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 59189862
[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
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 24988325
2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
CID 59189887
2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide
CID 143724235
6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189701
2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide
CID 59189770
2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide
CID 59189714

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The IUPAC name of 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide (CID 59189816) is 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The canonical SMILES for 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide is CC(=O)Nc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1.
What is the InChIKey of 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
The InChIKey is DLNOOQMZGUNMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-9(24)21-12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-17(23-18(20)26)15(13)16(19)25/h2-8,22H,1H3,(H2,19,25)(H,21,24)(H3,20,23,26).
What are the key properties of 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide?
6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 59189816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).