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

C18H16N4O2 — CID 59189770

IUPAC2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide
SMILESC=C(c1ccccc1)c1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C18H16N4O2/c1-10(11-5-3-2-4-6-11)12-7-8-13-14(9-12)21-17(22-18(20)24)15(13)16(19)23/h2-9,21H,1H2,(H2,19,23)(H3,20,22,24)
InChIKeyLCQQJFJEOFARTJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.82
Rot. Bonds4

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

2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide (PubChem CID 59189770) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide
PubChem CID59189770
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide
SMILESC=C(c1ccccc1)c1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C18H16N4O2/c1-10(11-5-3-2-4-6-11)12-7-8-13-14(9-12)21-17(22-18(20)24)15(13)16(19)23/h2-9,21H,1H2,(H2,19,23)(H3,20,22,24)
InChIKeyLCQQJFJEOFARTJ-UHFFFAOYSA-N
XLogP2.82
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
2-(carbamoylamino)-6-pyrrolidin-1-yl-1H-indole-3-carboxamide
CID 24987218
6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189701
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 59189862
6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189816
2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide
CID 24989062
6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 24988325
2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 24988330
[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate
CID 59189839
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
CID 59189868

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide (CID 59189770) is 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide is C=C(c1ccccc1)c1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1.
What is the InChIKey of 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide?
The InChIKey is LCQQJFJEOFARTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-10(11-5-3-2-4-6-11)12-7-8-13-14(9-12)21-17(22-18(20)24)15(13)16(19)23/h2-9,21H,1H2,(H2,19,23)(H3,20,22,24).
What are the key properties of 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 59189770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).