3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide

C19H25N3O — CID 119797067

IUPAC3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCn1ccc2ccc(NC(=O)C3C4CCC(C4)C3N)cc21
InChIInChI=1S/C19H25N3O/c1-2-8-22-9-7-12-5-6-15(11-16(12)22)21-19(23)17-13-3-4-14(10-13)18(17)20/h5-7,9,11,13-14,17-18H,2-4,8,10,20H2,1H3,(H,21,23)
InChIKeyVQNPEQZUVUQTAU-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119797067) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119797067
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCn1ccc2ccc(NC(=O)C3C4CCC(C4)C3N)cc21
InChIInChI=1S/C19H25N3O/c1-2-8-22-9-7-12-5-6-15(11-16(12)22)21-19(23)17-13-3-4-14(10-13)18(17)20/h5-7,9,11,13-14,17-18H,2-4,8,10,20H2,1H3,(H,21,23)
InChIKeyVQNPEQZUVUQTAU-UHFFFAOYSA-N
XLogP3.36
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119797067) is 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide is CCCn1ccc2ccc(NC(=O)C3C4CCC(C4)C3N)cc21.
What is the InChIKey of 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VQNPEQZUVUQTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-8-22-9-7-12-5-6-15(11-16(12)22)21-19(23)17-13-3-4-14(10-13)18(17)20/h5-7,9,11,13-14,17-18H,2-4,8,10,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119797067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).