N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide

C24H22N6O — CID 16662732

IUPACN-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)cn1
InChIInChI=1S/C24H22N6O/c1-17(31)29-23-9-8-21(16-28-23)30-24-18(5-4-12-27-24)13-22(19-6-2-10-25-14-19)20-7-3-11-26-15-20/h2-12,14-16,22H,13H2,1H3,(H,27,30)(H,28,29,31)
InChIKeyMKVQNLBJUGZTBT-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.34
Rot. Bonds7

About N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide

N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide (PubChem CID 16662732) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide
PubChem CID16662732
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC NameN-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)cn1
InChIInChI=1S/C24H22N6O/c1-17(31)29-23-9-8-21(16-28-23)30-24-18(5-4-12-27-24)13-22(19-6-2-10-25-14-19)20-7-3-11-26-15-20/h2-12,14-16,22H,13H2,1H3,(H,27,30)(H,28,29,31)
InChIKeyMKVQNLBJUGZTBT-UHFFFAOYSA-N
XLogP4.34
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide (CID 16662732) is N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)cn1.
What is the InChIKey of N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide?
The InChIKey is MKVQNLBJUGZTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-17(31)29-23-9-8-21(16-28-23)30-24-18(5-4-12-27-24)13-22(19-6-2-10-25-14-19)20-7-3-11-26-15-20/h2-12,14-16,22H,13H2,1H3,(H,27,30)(H,28,29,31).
What are the key properties of N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide?
N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide has a molecular weight of 410.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 16662732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).