6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one

C27H32N8O — CID 70791793

IUPAC6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCCN1CCN(CCc2ccc(Nc3nc(Nc4ccc(N)cn4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C27H32N8O/c1-2-34-13-15-35(16-14-34)12-10-19-3-6-22(7-4-19)31-26-25-20(9-11-29-27(25)36)17-24(33-26)32-23-8-5-21(28)18-30-23/h3-9,11,17-18H,2,10,12-16,28H2,1H3,(H,29,36)(H2,30,31,32,33)
InChIKeyUEAXMMJUJOZNCV-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.57
Rot. Bonds8

About 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one

6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 70791793) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one
PubChem CID70791793
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Name6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one
SMILESCCN1CCN(CCc2ccc(Nc3nc(Nc4ccc(N)cn4)cc4cc[nH]c(=O)c34)cc2)CC1
InChIInChI=1S/C27H32N8O/c1-2-34-13-15-35(16-14-34)12-10-19-3-6-22(7-4-19)31-26-25-20(9-11-29-27(25)36)17-24(33-26)32-23-8-5-21(28)18-30-23/h3-9,11,17-18H,2,10,12-16,28H2,1H3,(H,29,36)(H2,30,31,32,33)
InChIKeyUEAXMMJUJOZNCV-UHFFFAOYSA-N
XLogP3.57
TPSA115.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one (CID 70791793) is 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one is CCN1CCN(CCc2ccc(Nc3nc(Nc4ccc(N)cn4)cc4cc[nH]c(=O)c34)cc2)CC1.
What is the InChIKey of 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is UEAXMMJUJOZNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O/c1-2-34-13-15-35(16-14-34)12-10-19-3-6-22(7-4-19)31-26-25-20(9-11-29-27(25)36)17-24(33-26)32-23-8-5-21(28)18-30-23/h3-9,11,17-18H,2,10,12-16,28H2,1H3,(H,29,36)(H2,30,31,32,33).
What are the key properties of 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one?
6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 484.61 g/mol, XLogP of 3.57, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-2-pyridinyl)amino]-8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 70791793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).