N-(1H-indol-4-yl)-1H-indole-7-carboxamide

C17H13N3O — CID 112526402

IUPACN-(1H-indol-4-yl)-1H-indole-7-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cccc2cc[nH]c12
InChIInChI=1S/C17H13N3O/c21-17(13-4-1-3-11-7-9-19-16(11)13)20-15-6-2-5-14-12(15)8-10-18-14/h1-10,18-19H,(H,20,21)
InChIKeyLAGHOYMTFLYICL-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.90
Rot. Bonds2

About N-(1H-indol-4-yl)-1H-indole-7-carboxamide

N-(1H-indol-4-yl)-1H-indole-7-carboxamide (PubChem CID 112526402) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-1H-indole-7-carboxamide
PubChem CID112526402
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN-(1H-indol-4-yl)-1H-indole-7-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cccc2cc[nH]c12
InChIInChI=1S/C17H13N3O/c21-17(13-4-1-3-11-7-9-19-16(11)13)20-15-6-2-5-14-12(15)8-10-18-14/h1-10,18-19H,(H,20,21)
InChIKeyLAGHOYMTFLYICL-UHFFFAOYSA-N
XLogP3.90
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
CID 112522853
N-(2-methyl-3-pyridinyl)-1H-indole-7-carboxamide
CID 79044351
N-(4-fluoro-2-iodophenyl)-1H-indole-7-carboxamide
CID 79766058
1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide
CID 71934158
N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide
CID 47093054
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
fluoro N-(1H-indol-4-yl)carbamate
CID 174803649
N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide
CID 43582943
[2-(1H-indol-7-ylcarbamoyl)phenyl] acetate
CID 69027217

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of N-(1H-indol-4-yl)-1H-indole-7-carboxamide (CID 112526402) is N-(1H-indol-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for N-(1H-indol-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for N-(1H-indol-4-yl)-1H-indole-7-carboxamide is O=C(Nc1cccc2[nH]ccc12)c1cccc2cc[nH]c12.
What is the InChIKey of N-(1H-indol-4-yl)-1H-indole-7-carboxamide?
The InChIKey is LAGHOYMTFLYICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17(13-4-1-3-11-7-9-19-16(11)13)20-15-6-2-5-14-12(15)8-10-18-14/h1-10,18-19H,(H,20,21).
What are the key properties of N-(1H-indol-4-yl)-1H-indole-7-carboxamide?
N-(1H-indol-4-yl)-1H-indole-7-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 112526402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).