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

C23H28N6O2 — CID 164885432

IUPAC5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)cc2=NC1=O
InChIInChI=1S/C23H28N6O2/c1-4-17-12-19-20(27-22(17)30)11-16(13-25-19)14-28-7-9-29(10-8-28)21-6-5-18(23(31)24-3)26-15(21)2/h5-6,11-13,17H,4,7-10,14H2,1-3H3,(H,24,31)
InChIKeyVQKJEJWLKFCVCZ-UHFFFAOYSA-N
MW420.52 g/mol
LogP0.43
Rot. Bonds5

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

5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 164885432) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID164885432
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)cc2=NC1=O
InChIInChI=1S/C23H28N6O2/c1-4-17-12-19-20(27-22(17)30)11-16(13-25-19)14-28-7-9-29(10-8-28)21-6-5-18(23(31)24-3)26-15(21)2/h5-6,11-13,17H,4,7-10,14H2,1-3H3,(H,24,31)
InChIKeyVQKJEJWLKFCVCZ-UHFFFAOYSA-N
XLogP0.43
TPSA90.79 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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (CID 164885432) is 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is CCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)cc2=NC1=O.
What is the InChIKey of 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is VQKJEJWLKFCVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-4-17-12-19-20(27-22(17)30)11-16(13-25-19)14-28-7-9-29(10-8-28)21-6-5-18(23(31)24-3)26-15(21)2/h5-6,11-13,17H,4,7-10,14H2,1-3H3,(H,24,31).
What are the key properties of 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 164885432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).