N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide

C23H20N6O — CID 11516795

IUPACN-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(C(c2cccnc2)C(c2cccnc2)c2cnccn2)n1
InChIInChI=1S/C23H20N6O/c1-16(30)28-21-8-2-7-19(29-21)22(17-5-3-9-24-13-17)23(18-6-4-10-25-14-18)20-15-26-11-12-27-20/h2-15,22-23H,1H3,(H,28,29,30)
InChIKeyNVLQTMLQOHIEAP-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.58
Rot. Bonds6

About N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide

N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide (PubChem CID 11516795) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide
PubChem CID11516795
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(C(c2cccnc2)C(c2cccnc2)c2cnccn2)n1
InChIInChI=1S/C23H20N6O/c1-16(30)28-21-8-2-7-19(29-21)22(17-5-3-9-24-13-17)23(18-6-4-10-25-14-18)20-15-26-11-12-27-20/h2-15,22-23H,1H3,(H,28,29,30)
InChIKeyNVLQTMLQOHIEAP-UHFFFAOYSA-N
XLogP3.58
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide (CID 11516795) is N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide is CC(=O)Nc1cccc(C(c2cccnc2)C(c2cccnc2)c2cnccn2)n1.
What is the InChIKey of N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide?
The InChIKey is NVLQTMLQOHIEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-16(30)28-21-8-2-7-19(29-21)22(17-5-3-9-24-13-17)23(18-6-4-10-25-14-18)20-15-26-11-12-27-20/h2-15,22-23H,1H3,(H,28,29,30).
What are the key properties of N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide?
N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-pyrazin-2-yl-1,2-dipyridin-3-ylethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 11516795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).