6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide

C21H25N7O2 — CID 167845001

IUPAC6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)=CC2=NC1=O
InChIInChI=1S/C21H25N7O2/c1-3-15-11-17-18(24-20(15)29)10-14(12-23-17)13-27-6-8-28(9-7-27)19-5-4-16(25-26-19)21(30)22-2/h4-5,10-12,17H,3,6-9,13H2,1-2H3,(H,22,30)
InChIKeyMFFXIBQPPWJHAB-UHFFFAOYSA-N
MW407.48 g/mol
LogP0.66
Rot. Bonds5

About 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide

6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 167845001) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID167845001
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)=CC2=NC1=O
InChIInChI=1S/C21H25N7O2/c1-3-15-11-17-18(24-20(15)29)10-14(12-23-17)13-27-6-8-28(9-7-27)19-5-4-16(25-26-19)21(30)22-2/h4-5,10-12,17H,3,6-9,13H2,1-2H3,(H,22,30)
InChIKeyMFFXIBQPPWJHAB-UHFFFAOYSA-N
XLogP0.66
TPSA103.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide (CID 167845001) is 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide is CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC)nn4)CC3)=CC2=NC1=O.
What is the InChIKey of 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is MFFXIBQPPWJHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-3-15-11-17-18(24-20(15)29)10-14(12-23-17)13-27-6-8-28(9-7-27)19-5-4-16(25-26-19)21(30)22-2/h4-5,10-12,17H,3,6-9,13H2,1-2H3,(H,22,30).
What are the key properties of 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 167845001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).