4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide

C23H23N5O3S — CID 129202548

IUPAC4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)c2)cc1
InChIInChI=1S/C23H23N5O3S/c1-28(17-4-5-17)32(30,31)18-6-2-14(3-7-18)16-10-19(22(24)27-12-16)21-11-15-8-9-25-23(29)20(15)13-26-21/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H2,24,27)(H,25,29)
InChIKeyUIIMLJPFQHOHEX-UHFFFAOYSA-N
MW449.54 g/mol
LogP2.46
Rot. Bonds5

About 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide

4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide (PubChem CID 129202548) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide
PubChem CID129202548
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)c2)cc1
InChIInChI=1S/C23H23N5O3S/c1-28(17-4-5-17)32(30,31)18-6-2-14(3-7-18)16-10-19(22(24)27-12-16)21-11-15-8-9-25-23(29)20(15)13-26-21/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H2,24,27)(H,25,29)
InChIKeyUIIMLJPFQHOHEX-UHFFFAOYSA-N
XLogP2.46
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide (CID 129202548) is 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide is CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)c2)cc1.
What is the InChIKey of 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide?
The InChIKey is UIIMLJPFQHOHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-28(17-4-5-17)32(30,31)18-6-2-14(3-7-18)16-10-19(22(24)27-12-16)21-11-15-8-9-25-23(29)20(15)13-26-21/h2-3,6-7,10-13,17H,4-5,8-9H2,1H3,(H2,24,27)(H,25,29).
What are the key properties of 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide?
4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide has a molecular weight of 449.54 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(8-oxo-6,7-dihydro-5H-2,7-naphthyridin-3-yl)-3-pyridinyl]-N-cyclopropyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 129202548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).