6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide

C26H30ClN5O3S — CID 131990122

IUPAC6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide
SMILESCCCOc1cc(-c2ccc3c(n2)N(CC)[C@H](CC)C=C3NS(=O)(=O)c2cccc(N)n2)ccc1Cl
InChIInChI=1S/C26H30ClN5O3S/c1-4-14-35-23-15-17(10-12-20(23)27)21-13-11-19-22(16-18(5-2)32(6-3)26(19)29-21)31-36(33,34)25-9-7-8-24(28)30-25/h7-13,15-16,18,31H,4-6,14H2,1-3H3,(H2,28,30)/t18-/m1/s1
InChIKeyDMTJJBODFTZRPU-GOSISDBHSA-N
MW528.08 g/mol
LogP5.11
Rot. Bonds9

About 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide

6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide (PubChem CID 131990122) has the molecular formula C26H30ClN5O3S and a molecular weight of 528.08 g/mol. Its IUPAC name is 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide
PubChem CID131990122
Molecular FormulaC26H30ClN5O3S
Molecular Weight528.08 g/mol
Exact Mass527.18
IUPAC Name6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide
SMILESCCCOc1cc(-c2ccc3c(n2)N(CC)[C@H](CC)C=C3NS(=O)(=O)c2cccc(N)n2)ccc1Cl
InChIInChI=1S/C26H30ClN5O3S/c1-4-14-35-23-15-17(10-12-20(23)27)21-13-11-19-22(16-18(5-2)32(6-3)26(19)29-21)31-36(33,34)25-9-7-8-24(28)30-25/h7-13,15-16,18,31H,4-6,14H2,1-3H3,(H2,28,30)/t18-/m1/s1
InChIKeyDMTJJBODFTZRPU-GOSISDBHSA-N
XLogP5.11
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.08
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide (CID 131990122) is 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide is CCCOc1cc(-c2ccc3c(n2)N(CC)[C@H](CC)C=C3NS(=O)(=O)c2cccc(N)n2)ccc1Cl.
What is the InChIKey of 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide?
The InChIKey is DMTJJBODFTZRPU-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30ClN5O3S/c1-4-14-35-23-15-17(10-12-20(23)27)21-13-11-19-22(16-18(5-2)32(6-3)26(19)29-21)31-36(33,34)25-9-7-8-24(28)30-25/h7-13,15-16,18,31H,4-6,14H2,1-3H3,(H2,28,30)/t18-/m1/s1.
What are the key properties of 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide?
6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide has a molecular weight of 528.08 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2R)-7-(4-chloro-3-propoxyphenyl)-1,2-diethyl-2H-1,8-naphthyridin-4-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 131990122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).