5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H28N6O2 — CID 167844961

IUPAC5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H](C)C3)=CC2=NC1=O
InChIInChI=1S/C23H28N6O2/c1-4-17-10-20-21(27-22(17)30)9-16(11-25-20)14-28-7-8-29(15(2)13-28)18-5-6-19(26-12-18)23(31)24-3/h5-6,9-12,15,20H,4,7-8,13-14H2,1-3H3,(H,24,31)/t15-,20?/m1/s1
InChIKeyDAQZGCNEELYKDZ-IWPPFLRJSA-N
MW420.52 g/mol
LogP1.65
Rot. Bonds5

About 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 167844961) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID167844961
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H](C)C3)=CC2=NC1=O
InChIInChI=1S/C23H28N6O2/c1-4-17-10-20-21(27-22(17)30)9-16(11-25-20)14-28-7-8-29(15(2)13-28)18-5-6-19(26-12-18)23(31)24-3/h5-6,9-12,15,20H,4,7-8,13-14H2,1-3H3,(H,24,31)/t15-,20?/m1/s1
InChIKeyDAQZGCNEELYKDZ-IWPPFLRJSA-N
XLogP1.65
TPSA90.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 167844961) is 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide is CCC1=CC2N=CC(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H](C)C3)=CC2=NC1=O.
What is the InChIKey of 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is DAQZGCNEELYKDZ-IWPPFLRJSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-4-17-10-20-21(27-22(17)30)9-16(11-25-20)14-28-7-8-29(15(2)13-28)18-5-6-19(26-12-18)23(31)24-3/h5-6,9-12,15,20H,4,7-8,13-14H2,1-3H3,(H,24,31)/t15-,20?/m1/s1.
What are the key properties of 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167844961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).