4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide

C15H19N3O — CID 125482192

IUPAC4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc([C@@H]2CCC[C@@H](N)C2)c2cc[nH]c12
InChIInChI=1S/C15H19N3O/c16-10-3-1-2-9(8-10)11-4-5-13(15(17)19)14-12(11)6-7-18-14/h4-7,9-10,18H,1-3,8,16H2,(H2,17,19)/t9-,10-/m1/s1
InChIKeyUWIVHIOLGCHJPP-NXEZZACHSA-N
MW257.34 g/mol
LogP2.25
Rot. Bonds2

About 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide

4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide (PubChem CID 125482192) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide
PubChem CID125482192
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc([C@@H]2CCC[C@@H](N)C2)c2cc[nH]c12
InChIInChI=1S/C15H19N3O/c16-10-3-1-2-9(8-10)11-4-5-13(15(17)19)14-12(11)6-7-18-14/h4-7,9-10,18H,1-3,8,16H2,(H2,17,19)/t9-,10-/m1/s1
InChIKeyUWIVHIOLGCHJPP-NXEZZACHSA-N
XLogP2.25
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide?
The IUPAC name of 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide (CID 125482192) is 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide?
The canonical SMILES for 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide is NC(=O)c1ccc([C@@H]2CCC[C@@H](N)C2)c2cc[nH]c12.
What is the InChIKey of 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide?
The InChIKey is UWIVHIOLGCHJPP-NXEZZACHSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-3-1-2-9(8-10)11-4-5-13(15(17)19)14-12(11)6-7-18-14/h4-7,9-10,18H,1-3,8,16H2,(H2,17,19)/t9-,10-/m1/s1.
What are the key properties of 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide?
4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 125482192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).