1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide

C25H28N6O3 — CID 71146562

IUPAC1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide
SMILESCc1ccc2nccc(NC(=O)C3(O)CCC(NCc4ccc5c(n4)NC(=O)CC5)CC3)c2n1
InChIInChI=1S/C25H28N6O3/c1-15-2-6-19-22(28-15)20(10-13-26-19)30-24(33)25(34)11-8-17(9-12-25)27-14-18-5-3-16-4-7-21(32)31-23(16)29-18/h2-3,5-6,10,13,17,27,34H,4,7-9,11-12,14H2,1H3,(H,26,30,33)(H,29,31,32)
InChIKeyKXTSIZDHMQFUEQ-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.62
Rot. Bonds5

About 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide

1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 71146562) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID71146562
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide
SMILESCc1ccc2nccc(NC(=O)C3(O)CCC(NCc4ccc5c(n4)NC(=O)CC5)CC3)c2n1
InChIInChI=1S/C25H28N6O3/c1-15-2-6-19-22(28-15)20(10-13-26-19)30-24(33)25(34)11-8-17(9-12-25)27-14-18-5-3-16-4-7-21(32)31-23(16)29-18/h2-3,5-6,10,13,17,27,34H,4,7-9,11-12,14H2,1H3,(H,26,30,33)(H,29,31,32)
InChIKeyKXTSIZDHMQFUEQ-UHFFFAOYSA-N
XLogP2.62
TPSA129.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide (CID 71146562) is 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide is Cc1ccc2nccc(NC(=O)C3(O)CCC(NCc4ccc5c(n4)NC(=O)CC5)CC3)c2n1.
What is the InChIKey of 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is KXTSIZDHMQFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-15-2-6-19-22(28-15)20(10-13-26-19)30-24(33)25(34)11-8-17(9-12-25)27-14-18-5-3-16-4-7-21(32)31-23(16)29-18/h2-3,5-6,10,13,17,27,34H,4,7-9,11-12,14H2,1H3,(H,26,30,33)(H,29,31,32).
What are the key properties of 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide?
1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(6-methyl-1,5-naphthyridin-4-yl)-4-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-2-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 71146562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).