ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

C25H34N6O3 — CID 166088880

IUPACethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCC.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c(=O)n4C)CC3)cc2[nH]c1=O
InChIInChI=1S/C23H28N6O3.C2H6/c1-4-16-12-18-19(26-21(16)30)11-15(13-25-18)14-28-7-9-29(10-8-28)20-6-5-17(22(31)24-2)23(32)27(20)3;1-2/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,24,31)(H,26,30);1-2H3
InChIKeyMFECPYSJRQDOTF-UHFFFAOYSA-N
MW466.59 g/mol
LogP1.89
Rot. Bonds5

About ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 166088880) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID166088880
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Nameethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCC.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c(=O)n4C)CC3)cc2[nH]c1=O
InChIInChI=1S/C23H28N6O3.C2H6/c1-4-16-12-18-19(26-21(16)30)11-15(13-25-18)14-28-7-9-29(10-8-28)20-6-5-17(22(31)24-2)23(32)27(20)3;1-2/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,24,31)(H,26,30);1-2H3
InChIKeyMFECPYSJRQDOTF-UHFFFAOYSA-N
XLogP1.89
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 166088880) is ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is CC.CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)c(=O)n4C)CC3)cc2[nH]c1=O.
What is the InChIKey of ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is MFECPYSJRQDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3.C2H6/c1-4-16-12-18-19(26-21(16)30)11-15(13-25-18)14-28-7-9-29(10-8-28)20-6-5-17(22(31)24-2)23(32)27(20)3;1-2/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,24,31)(H,26,30);1-2H3.
What are the key properties of ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 166088880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).