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

C23H29N7O2 — CID 178131848

IUPAC5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)NN(C)C)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C23H29N7O2/c1-4-17-12-20-21(26-22(17)31)11-16(13-24-20)15-29-7-9-30(10-8-29)18-5-6-19(25-14-18)23(32)27-28(2)3/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,26,31)(H,27,32)
InChIKeyWJWPRUJAMBSGGC-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.41
Rot. Bonds6

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

5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide (PubChem CID 178131848) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
PubChem CID178131848
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)NN(C)C)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C23H29N7O2/c1-4-17-12-20-21(26-22(17)31)11-16(13-24-20)15-29-7-9-30(10-8-29)18-5-6-19(25-14-18)23(32)27-28(2)3/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,26,31)(H,27,32)
InChIKeyWJWPRUJAMBSGGC-UHFFFAOYSA-N
XLogP1.41
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide?
The IUPAC name of 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide (CID 178131848) is 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide.
What is the SMILES notation for 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide?
The canonical SMILES for 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NN(C)C)nc4)CC3)cc2[nH]c1=O.
What is the InChIKey of 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide?
The InChIKey is WJWPRUJAMBSGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-4-17-12-20-21(26-22(17)31)11-16(13-24-20)15-29-7-9-30(10-8-29)18-5-6-19(25-14-18)23(32)27-28(2)3/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,26,31)(H,27,32).
What are the key properties of 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide?
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide has a molecular weight of 435.53 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide is sourced from PubChem (CID 178131848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).