N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide

C24H24N6O — CID 67960112

IUPACN-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide
SMILESNC1CCN(c2cncc(-c3c[nH]c4ccc(NC(=O)c5ccccc5)cc34)n2)CC1
InChIInChI=1S/C24H24N6O/c25-17-8-10-30(11-9-17)23-15-26-14-22(29-23)20-13-27-21-7-6-18(12-19(20)21)28-24(31)16-4-2-1-3-5-16/h1-7,12-15,17,27H,8-11,25H2,(H,28,31)
InChIKeyRRMRFFMYLWVBOZ-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.80
Rot. Bonds4

About N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide

N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide (PubChem CID 67960112) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide
PubChem CID67960112
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide
SMILESNC1CCN(c2cncc(-c3c[nH]c4ccc(NC(=O)c5ccccc5)cc34)n2)CC1
InChIInChI=1S/C24H24N6O/c25-17-8-10-30(11-9-17)23-15-26-14-22(29-23)20-13-27-21-7-6-18(12-19(20)21)28-24(31)16-4-2-1-3-5-16/h1-7,12-15,17,27H,8-11,25H2,(H,28,31)
InChIKeyRRMRFFMYLWVBOZ-UHFFFAOYSA-N
XLogP3.80
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide?
The IUPAC name of N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide (CID 67960112) is N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide?
The canonical SMILES for N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide is NC1CCN(c2cncc(-c3c[nH]c4ccc(NC(=O)c5ccccc5)cc34)n2)CC1.
What is the InChIKey of N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide?
The InChIKey is RRMRFFMYLWVBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c25-17-8-10-30(11-9-17)23-15-26-14-22(29-23)20-13-27-21-7-6-18(12-19(20)21)28-24(31)16-4-2-1-3-5-16/h1-7,12-15,17,27H,8-11,25H2,(H,28,31).
What are the key properties of N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide?
N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide has a molecular weight of 412.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 67960112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).