5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide

C26H32N6O3 — CID 167844989

IUPAC5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CCOCC5)nc4)CC3)=CC2=NC1=O
InChIInChI=1S/C26H32N6O3/c1-2-19-14-23-24(30-25(19)33)13-18(15-27-23)17-31-7-9-32(10-8-31)21-3-4-22(28-16-21)26(34)29-20-5-11-35-12-6-20/h3-4,13-16,20,23H,2,5-12,17H2,1H3,(H,29,34)
InChIKeyQUIRBLOGIYAVBP-UHFFFAOYSA-N
MW476.58 g/mol
LogP1.81
Rot. Bonds6

About 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide

5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 167844989) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID167844989
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CCOCC5)nc4)CC3)=CC2=NC1=O
InChIInChI=1S/C26H32N6O3/c1-2-19-14-23-24(30-25(19)33)13-18(15-27-23)17-31-7-9-32(10-8-31)21-3-4-22(28-16-21)26(34)29-20-5-11-35-12-6-20/h3-4,13-16,20,23H,2,5-12,17H2,1H3,(H,29,34)
InChIKeyQUIRBLOGIYAVBP-UHFFFAOYSA-N
XLogP1.81
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide (CID 167844989) is 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide is CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC5CCOCC5)nc4)CC3)=CC2=NC1=O.
What is the InChIKey of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is QUIRBLOGIYAVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-2-19-14-23-24(30-25(19)33)13-18(15-27-23)17-31-7-9-32(10-8-31)21-3-4-22(28-16-21)26(34)29-20-5-11-35-12-6-20/h3-4,13-16,20,23H,2,5-12,17H2,1H3,(H,29,34).
What are the key properties of 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide?
5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167844989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).