1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide

C23H25N7O3S — CID 71146568

IUPAC1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
SMILESCc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cc5c(nn4)SCC(=O)N5)CC3)c2n1
InChIInChI=1S/C23H25N7O3S/c1-13-2-3-16-20(26-13)17(6-9-24-16)28-22(32)23(33)7-4-14(5-8-23)25-11-15-10-18-21(30-29-15)34-12-19(31)27-18/h2-3,6,9-10,14,25,33H,4-5,7-8,11-12H2,1H3,(H,27,31)(H,24,28,32)
InChIKeyHYQNECFGZMKXES-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.17
Rot. Bonds5

About 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide

1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 71146568) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID71146568
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC Name1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
SMILESCc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cc5c(nn4)SCC(=O)N5)CC3)c2n1
InChIInChI=1S/C23H25N7O3S/c1-13-2-3-16-20(26-13)17(6-9-24-16)28-22(32)23(33)7-4-14(5-8-23)25-11-15-10-18-21(30-29-15)34-12-19(31)27-18/h2-3,6,9-10,14,25,33H,4-5,7-8,11-12H2,1H3,(H,27,31)(H,24,28,32)
InChIKeyHYQNECFGZMKXES-UHFFFAOYSA-N
XLogP2.17
TPSA142.02 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide (CID 71146568) is 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide is Cc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cc5c(nn4)SCC(=O)N5)CC3)c2n1.
What is the InChIKey of 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is HYQNECFGZMKXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-13-2-3-16-20(26-13)17(6-9-24-16)28-22(32)23(33)7-4-14(5-8-23)25-11-15-10-18-21(30-29-15)34-12-19(31)27-18/h2-3,6,9-10,14,25,33H,4-5,7-8,11-12H2,1H3,(H,27,31)(H,24,28,32).
What are the key properties of 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide?
1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 479.57 g/mol, XLogP of 2.17, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 71146568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).