4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide

C22H23N5O2 — CID 155238143

IUPAC4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2C3CNCC32)cc(Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C22H23N5O2/c1-23-22(29)19-9-13(21(28)27-20-16-10-24-11-17(16)20)8-14(26-19)7-12-3-2-4-18-15(12)5-6-25-18/h2-6,8-9,16-17,20,24-25H,7,10-11H2,1H3,(H,23,29)(H,27,28)
InChIKeyJHXAGWMKPNGMKN-UHFFFAOYSA-N
MW389.46 g/mol
LogP1.46
Rot. Bonds5

About 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide

4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 155238143) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID155238143
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2C3CNCC32)cc(Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C22H23N5O2/c1-23-22(29)19-9-13(21(28)27-20-16-10-24-11-17(16)20)8-14(26-19)7-12-3-2-4-18-15(12)5-6-25-18/h2-6,8-9,16-17,20,24-25H,7,10-11H2,1H3,(H,23,29)(H,27,28)
InChIKeyJHXAGWMKPNGMKN-UHFFFAOYSA-N
XLogP1.46
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide (CID 155238143) is 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2C3CNCC32)cc(Cc2cccc3[nH]ccc23)n1.
What is the InChIKey of 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is JHXAGWMKPNGMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-23-22(29)19-9-13(21(28)27-20-16-10-24-11-17(16)20)8-14(26-19)7-12-3-2-4-18-15(12)5-6-25-18/h2-6,8-9,16-17,20,24-25H,7,10-11H2,1H3,(H,23,29)(H,27,28).
What are the key properties of 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide?
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 155238143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).