N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide

C22H26N4O3S — CID 56853616

IUPACN-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
SMILESCc1ncc2c(c1CNS(C)(=O)=O)CCN(C(=O)Cc1c(C)[nH]c3ccccc13)C2
InChIInChI=1S/C22H26N4O3S/c1-14-20(12-24-30(3,28)29)17-8-9-26(13-16(17)11-23-14)22(27)10-19-15(2)25-21-7-5-4-6-18(19)21/h4-7,11,24-25H,8-10,12-13H2,1-3H3
InChIKeyHHJJSGJBWPVAMT-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.36
Rot. Bonds5

About N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide

N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide (PubChem CID 56853616) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
PubChem CID56853616
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
SMILESCc1ncc2c(c1CNS(C)(=O)=O)CCN(C(=O)Cc1c(C)[nH]c3ccccc13)C2
InChIInChI=1S/C22H26N4O3S/c1-14-20(12-24-30(3,28)29)17-8-9-26(13-16(17)11-23-14)22(27)10-19-15(2)25-21-7-5-4-6-18(19)21/h4-7,11,24-25H,8-10,12-13H2,1-3H3
InChIKeyHHJJSGJBWPVAMT-UHFFFAOYSA-N
XLogP2.36
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.36
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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Related Compounds

N-[[7-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 26282114
N-[[7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]propane-1-sulfonamide
CID 26346320
N-[[3-methyl-7-[4-(5-methylfuran-2-yl)benzoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 42340437
N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]ethanesulfonamide
CID 42340499
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1-phenylmethanesulfonamide
CID 26348763
N-[[7-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide
CID 42399137
N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 26346929
N-[[7-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzenesulfonamide
CID 42212379
N-[[7-(2-cyclopentylacetyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
CID 42379499
7-acetyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529746

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide (CID 56853616) is N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide is Cc1ncc2c(c1CNS(C)(=O)=O)CCN(C(=O)Cc1c(C)[nH]c3ccccc13)C2.
What is the InChIKey of N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
The InChIKey is HHJJSGJBWPVAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14-20(12-24-30(3,28)29)17-8-9-26(13-16(17)11-23-14)22(27)10-19-15(2)25-21-7-5-4-6-18(19)21/h4-7,11,24-25H,8-10,12-13H2,1-3H3.
What are the key properties of N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide?
N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-7-[2-(2-methyl-1H-indol-3-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56853616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).