4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

C23H24N6O2S — CID 10388977

IUPAC4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5snnc5c4)CC3)c2n1
InChIInChI=1S/C23H24N6O2S/c1-31-21-9-7-17-22(27-21)18(10-11-24-17)26-23(30)15-3-5-16(6-4-15)25-13-14-2-8-20-19(12-14)28-29-32-20/h2,7-12,15-16,25H,3-6,13H2,1H3,(H,24,26,30)
InChIKeyRONNYFTVWCSTTR-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.93
Rot. Bonds6

About 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide

4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (PubChem CID 10388977) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
PubChem CID10388977
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5snnc5c4)CC3)c2n1
InChIInChI=1S/C23H24N6O2S/c1-31-21-9-7-17-22(27-21)18(10-11-24-17)26-23(30)15-3-5-16(6-4-15)25-13-14-2-8-20-19(12-14)28-29-32-20/h2,7-12,15-16,25H,3-6,13H2,1H3,(H,24,26,30)
InChIKeyRONNYFTVWCSTTR-UHFFFAOYSA-N
XLogP3.93
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide (CID 10388977) is 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)C3CCC(NCc4ccc5snnc5c4)CC3)c2n1.
What is the InChIKey of 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is RONNYFTVWCSTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-31-21-9-7-17-22(27-21)18(10-11-24-17)26-23(30)15-3-5-16(6-4-15)25-13-14-2-8-20-19(12-14)28-29-32-20/h2,7-12,15-16,25H,3-6,13H2,1H3,(H,24,26,30).
What are the key properties of 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide?
4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 10388977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).