N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide

C26H32N4O3S — CID 42399110

IUPACN-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccc3[nH]c4c(c3c1)CCCC4)C2
InChIInChI=1S/C26H32N4O3S/c1-3-12-34(32,33)28-15-23-17(2)27-14-19-16-30(11-10-20(19)23)26(31)18-8-9-25-22(13-18)21-6-4-5-7-24(21)29-25/h8-9,13-14,28-29H,3-7,10-12,15-16H2,1-2H3
InChIKeyHAEQKNMCQDGIPZ-UHFFFAOYSA-N
MW480.63 g/mol
LogP3.78
Rot. Bonds6

About N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide

N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide (PubChem CID 42399110) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
PubChem CID42399110
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC NameN-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccc3[nH]c4c(c3c1)CCCC4)C2
InChIInChI=1S/C26H32N4O3S/c1-3-12-34(32,33)28-15-23-17(2)27-14-19-16-30(11-10-20(19)23)26(31)18-8-9-25-22(13-18)21-6-4-5-7-24(21)29-25/h8-9,13-14,28-29H,3-7,10-12,15-16H2,1-2H3
InChIKeyHAEQKNMCQDGIPZ-UHFFFAOYSA-N
XLogP3.78
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide (CID 42399110) is N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccc3[nH]c4c(c3c1)CCCC4)C2.
What is the InChIKey of N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
The InChIKey is HAEQKNMCQDGIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-3-12-34(32,33)28-15-23-17(2)27-14-19-16-30(11-10-20(19)23)26(31)18-8-9-25-22(13-18)21-6-4-5-7-24(21)29-25/h8-9,13-14,28-29H,3-7,10-12,15-16H2,1-2H3.
What are the key properties of N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide?
N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide has a molecular weight of 480.63 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 42399110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).